㻌 㻌 㻌 㻌 ࠕ㹆㹎㹁㹇ᡓ␎ࣉࣟࢢ࣒ࣛࠖ ศ㔝㸰 ᪂≀㉁࣭࢚ࢿࣝࢠ࣮ᡂ ᡂᯝሗ࿌᭩㸦ᖹᡂ ᖺᗘ㸧 ࠙ῧ㈨ᩱࠚ ᖹᡂ㸰㸳ᖺ㸳᭶㸰㸷᪥ ᮾிᏛ ≀ᛶ◊✲ᡤ ィ⟬≀㉁⛉Ꮫ◊✲ࢭࣥࢱ࣮ ィ⟬≀㉁⛉Ꮫࢽࢩࢸࣈ ⤫ᣓ㈐௵⪅ ᖖ⾜┿ྖ 㻌 㻌 䛆ῧ㈨ᩱ㻌 ┠ḟ䛇㻌 㻌 㻌 ῧ㈨ᩱ㻌䠍㻌 ᖹᡂ 㻞䠐ᖺᗘ 㻯㻹㻿㻵 ᨭㄢ㢟ᡂᯝሗ࿌᭩㻌 㻌 㻌 ῧ㈨ᩱ㻌䠎㻌 ᖹᡂ 㻞䠐ᖺᗘ 㻯㻹㻿㻵 ◊✲ㄢ㢟ᡂᯝ䛾䝖䝢䝑䜽䝇㻌 㻌 㻌 ῧ㈨ᩱ㻌䠏㻌 䛂ி䛃ヨ㦂⏝ᡂᯝሗ࿌᭩㻌 㻌 㻌 ῧ㈨ᩱ㻌䠐㻌 ᖹᡂ 㻞䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㻌 㻌 ῧ㈨ᩱ㻌䠑㻌 䜲䝧䞁䝖ሗ࿌᭩㻌 㻌 㻌㻌 i 㻌 添付資料 １ 㻌 䝣䝷䝇䝖䝺䞊䝖☢ᛶయ䛾ィ⟬⛉Ꮫⓗ◊✲㻌 㻙㻙✵㛫␗᪉ᛶ䜢ᣢ䛴୕ゅ᱁Ꮚ 㻿㻩㻝 䝝䜲䝊䞁䝧䝹䜽ᙉ☢ᛶయ㻙㻙㻌 Computational-Science Study of Frustrated Magnets -- S=1 Heisenberg Antiferromagnet on Spatially Anisotropic Triangular Lattice -㻌 ୰㔝༤⏕ 㻭䚸⸨ᇽ┾ 㻮䚸ᆏᚭ 㻭㻘㻯䚸රᗜ┴❧≀㉁⌮ 㻭䚸ᮾ≀ᛶ◊ 㻮䚸ཎᏊຊᶵᵓ 㻯㻌 Hiroki NakanoA, Synge TodoB, Toru SakaiA,C, Uni. of HyogoA; ISSP, Uni. of TokyoB; JAEAC 㻌 㻞 ḟඖᙉ☢ᛶయ䛜䝣䝷䝇䝖䝺䞊䝅䝵䞁䜢᭷䛩䜛⣔䛾୍䛴䛻䚸୕ゅ᱁Ꮚୖ䛾䝝䜲䝊䞁䝧䝹䜽ᙉ☢ᛶᶍᆺ䛜 䛒䜚䚸䛛䛤䜑᱁Ꮚᙉ☢ᛶయ䛺䛹䛸ඹ䛻㧗ḟඖ䝣䝷䝇䝖䝺䞊䝖⣔䛾ᆺ䛸䛧䛶䚸ከ䛟䛾☢ᛶ◊✲⪅䛻ᙉ䛔㛵ᚰ䜢 ᣢ䛯䜜䛶䛔䜛䚹ゎᯒ䛜㞴䛧䛔ከయၥ㢟䛷䛒䜛㔞Ꮚ䝝䜲䝊䞁䝧䝹䜽ᶍᆺ䛿䚸ᵝ䚻䛺㏆ఝ䜢⏝䛔䛶ㄪ䜉䜙䜜䛶䛔䜛 䜒䛾䛾䚸⣔䛾䜛⯙䛔䛻䛴䛔䛶㏆ఝ䜢㉸䛘䛯䜘䜚Ⰻ䛔⌮ゎ䜢ᚓ䜛ᚲせᛶ䛛䜙䚸㏆ఝ䜢⏝䛔䛺䛔┤᥋ᩘ್䝅䝭䝳䝺 䞊䝅䝵䞁䛻䜘䜛▱ぢ䛾㔜せᛶ䛜㧗䜎䛳䛶䛔䜛䚹䛧䛛䛧䛺䛜䜙䚸⣔䛾㧗ḟඖᛶ䛸䝣䝷䝇䝖䝺䞊䝅䝵䞁䛾䛯䜑䛻ᐦᗘ⾜ ิ⧞䜚㎸䜏⩌ἲ䜔㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛾㐺⏝䛜ᅔ㞴䛺䛣䛸䛛䜙䚸ಙ㢗ᛶ䛾㧗䛔▱ぢ䜢ᚓ䜛᪉ἲ䛜䚸䠄⣔䛾䛝䛥 䛜ᑠ䛥䛔䜒䛾䛧䛛ྲྀ䜚ᢅ䛘䛺䛔䠅ᩘ್ᑐゅἲ䛻㝈䜙䜜䛶䛔䜛≧ἣ䛷䛒䜛䚹≉䛻䚸ᵓᡂ䝇䝢䞁䛾䛝䛥䛜 㻿㻩㻝㻛㻞 䛷 䛒䜛୕ゅ᱁Ꮚᙉ☢ᛶయ䛿ྂ䛟䛛䜙⢭ຊⓗ䛻ㄪ䜉䜙䜜䚸ᇶᗏ≧ែ䛷䛿㞄䜚ྜ䛖䝇䝢䞁䛜 㻝㻞㻜 ᗘ䛾ゅᗘ䜢䛺䛧䚸㻟 ಶ䛾᱁Ꮚ䛾䝇䝢䞁ᵓ㐀䜢᭷䛩䜛㛗㊥㞳⛛ᗎ≧ែ䛜ᐇ⌧䛧䛶䛔䜛䛸ᗈ䛟ಙ䛨䜙䜜䛶䛔䜛㼇㻝㻙㻠㼉䚹䛣䛾䜘䛖䛺⣔䛻ᑐ 䛩䜛Ⰻ䛔ೃ⿵≀㉁䛿䚸ᐇ㦂ⓗ䛻䜒ぢ䛴䛛䛳䛶䛔䜛㼇㻡㼉䚹䛧䛛䛧䛺䛜䜙䚸ᵓᡂ䝇䝢䞁䛜 㻿㻩㻝 䛷䛒䜛ሙྜ䛿䚸ᩘ್ᑐゅ ἲ䛷ྲྀ䜚ᢅ䛘䜛⣔䛾䛝䛥䛜䠄㻿㻩㻝㻛㻞 䛾ሙྜ䛸ẚ䜉䛶䜒᭦䛻䠅ⴭ䛧䛟ᑠ䛥䛔䜒䛾䛻ไ㝈䛥䜜䛶䛧䜎䛖䛯䜑䚸ᩘ್ᑐ ゅἲ䛻䜘䜛ྲྀ䜚⤌䜏䛿䜋䛸䜣䛹⾜䜟䜜䛶䛔䛺䛔䚹㻌 ᅇ䚸➼౯䛺᪉ྥ䛸䛧䛶䠏ಶ䛾᪉ྥ䛜䛒䜛୕ゅ᱁Ꮚୖ䛾 㻿㻩㻝 䝝䜲䝊䞁䝧䝹䜽ᙉ☢ᛶయ䛜✵㛫␗᪉ᛶ䜢ᣢ䛱䚸 㻝 ḟඖ㙐䛻⮳䜛䝹䞊䝖䛷┦స⏝䜢ไᚚ䛩䜛ሙྜ䜢ㄪ䜉䜛䚹㻔ᅗ䠍ཧ↷䚹㻕㻌 ➼᪉ⓗ䛺୕ゅ᱁Ꮚ䛾ሙྜ㻔㻶㻝㻩㻶㻞㻕䛻䛿䚸 ୖ䛷㏙䜉䛯䠏᱁Ꮚᵓ㐀䛾㛗㊥㞳⛛ᗎ䛜 㻿㻩㻝㻛㻞 䛾ሙྜ䛸ྠᵝ䛻ᙧᡂ䛥䜜䛶䛔䜛䛸⪃䛘䜙䜜䜛୍᪉䚸㻝 ḟඖ㙐┤ ୖ㻔㻶㻞㻩㻜㻕䛷䛿䚸䝝䝹䝕䞁䜼䝱䝑䝥䛜Ⓨ⏕䛧䛶䛔䜛䛣䛸䛛䜙䚸㛗㊥㞳⛛ᗎ䛿ኻ䜟䜜䜛䚹䛧䛯䛜䛳䛶䚸┦స⏝䜢ไᚚ 䛩䜛䝹䞊䝖䛾㏵୰䛷䚸䠏᱁Ꮚᵓ㐀䛾㛗㊥㞳⛛ᗎ䛜ኻ䜟䜜䜛䛣䛸䛜ண 䛥䜜䜛䚹䛣䛾ၥ㢟䛻ᑐ䛧䛶䚸 㼇㻢㼉䛿䚸 㼘㼕㼚㼗㼑㼐㻙㼏㼘㼡㼟㼠㼑㼞㻌 㼟㼑㼞㼕㼑㼟㻌 㼑㼤㼜㼍㼚㼟㼕㼛㼚 䛾㏆ఝἲ䜢⏝䛔䛶ㄪ䜉䚸㛗㊥㞳⛛ᗎ䛜ᾘኻ䛩䜛䛾䛿 㻶㻞㻛㻶㻝㻩㻜㻚㻟㻟 䛷䛒䜛䚸䛸䛔䛖 ⤖ᯝ䜢ᚓ䛶䛔䜛䚹䛥䜙䛻䚸㼏㼛㼡㼜㼘㼑㼐㻌㼏㼘㼡㼟㼠㼑㼞㻌㼙㼑㼠㼔㼛㼐 䛾㏆ఝ䛷ㄪ䜉䛯㼇㻣㼉䛿䚸㛗㊥㞳⛛ᗎ┦䛜䜒䛳䛸ᗈ䛔䛸䛔䛖⤖ᯝ䜢 ሗ࿌䛧䛶䛔䜛䚹㻌 㻌 ᅗ䠍䠖✵㛫␗᪉ᛶ䜢ᣢ䛴୕ゅ᱁Ꮚ䚹㡬Ⅼ䛻 㻿㻩㻝 䝇䝢䞁䛜ᒁᅾ䛧䛯䝝䜲䝊䞁䝧䝹䜽ᶍᆺ䜢⪃䛘䜛䚹㻌 ᐇ⥺䛾䝇䝢䞁㛫┦స⏝䛾ᙉ䛥䜢 㻶㻝䚸◚⥺䛾┦స⏝䛾ᙉ䛥䜢 㻶㻞 䛸䛧䛶䛔䜛䚹㻌 㻌 1 㻌 添付資料 １ ࡑࡢࡼ࠺࡞≧ἣ࡛ࠊᡃࠎࡣࠊࡈࡵ᱁Ꮚᙉ☢ᛶయࡢ◊✲[8-10]࡛ᇵࡗࡓᩘ್ᑐゅἲࡢつᶍ୪ิィ⟬ ࡢࣉࣟࢢ࣒ࣛᢏ⾡ࢆά⏝ࡋ࡚ࠊᅇࡢ S=1 ୕ゅ᱁Ꮚࣁࢮࣥ࣋ࣝࢡᙉ☢ᛶయࡢィ⟬ࢆ⾜ࡗࡓࠋᅇྲྀࡾ ᢅࡗࡓࢡࣛࢫࢱ࣮ࢧࢬࡢ୰࡛᭱ࡢࡶࡢࡣ Ns㸻27 ࡛࠶ࡾࠊࡑࡢィ⟬ࡣࠊᮾሗᇶ┙ࢭࣥࢱ࣮ࡢ FX10 ࡛ᐇࡋࡓࠋ(ࡇࢀࡲ࡛ S=1 ࢫࣆࣥ⣔ࢆᩘ್ᑐゅἲ࡛ྲྀࡾᢅࡗࡓ᭱ࢧࢬࡣࠊⴭ⪅ࡽࡢ▱ࡿ㝈ࡾࠊ[11] ࠾ࡅࡿ Ns㸻24 ࡀ࡛᭱࠶ࡿࠋ) ᅇࠊᡃࠎࡀᵝࠎ࡞ࢡࣛࢫࢱ࣮ࢧࢬ࡛ㄪࡓ 㻟 ᱁Ꮚᵓ㐀䛾㛗㊥㞳⛛ ᗎ䛾䜛⯙䛔䛿䚸⛛ᗎ┦䛾㡿ᇦ䛜䚸㼇㻢㻘㻣㼉䛾㏆ఝ䛾⤖ᯝ䛷ᚓ䜙䜜䛶䛔䜛䜒䛾䜘䜚䜒䛪䛳䛸⊃䛔䜒䛾䛷䛒䜛䛣䛸䜢♧ ၀䛩䜛⤖ᯝ䛸䛺䛳䛯䚹䛣䜜䛻䜘䜚䚸㏆ఝ䛷䛿ᤊ䛘䜛䛣䛸䛜ฟ᮶䛺䛛䛳䛯✵㛫␗᪉ᛶ䜢ᣢ䛴୕ゅ᱁Ꮚ 㻿㻩㻝 䝝䜲䝊䞁 䝧䝹䜽ᙉ☢ᛶయ䛾┿䛾䜛⯙䛔䜢ᤊ䛘䜛䛣䛸䛻ᡂຌ䛧䛯㼇㻝㻞㼉䚹 [1] D. 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Jpn. 82, 043715 (2013). 2 添付資料 ２ ᖹᡂ24ᖺᗘ CMSI◊✲ᡂᯝሗ࿌᭩ 䖂➨୍㒊 䛂᪂㔞Ꮚ┦䞉᪂≀㉁䛾ᇶ♏⛉Ꮫ䛃 A-1 䝽䞊䝮䜰䝹䝂䝸䝈䝮䛾୪ิ ṇᮌᬗᏊ 䠄ᮾிᏛ䠅 A-2 ⬺㛢䛨㎸䜑⮫⏺⌧㇟䛾䝴䝙䝞䞊䝃䝸䝔䜱 ཎ⏣⮬ 䠄ி㒔Ꮫ䠅 A-3 ືⓗᐦᗘ⾜ิ⧞䜚㎸䜏⩌ἲ䛻䜘䜛୍ḟඖᙉ┦㛵㟁Ꮚ⣔䛾 㠀⥺ᙧගᏛᛂ⟅䛾◊✲ ᭮⏣⦾ 䠄⌮Ꮫ◊✲ᡤ䠅 A-4 ከኚᩘኚศ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛 EtMe3Sb[Pd(dmit)2]2 ➨୍ཎ⌮᭷ຠᶍᆺ䛾ᇶᗏ≧ែゎᯒ ᳃⏣ᝅྐ 䠄ᮾிᏛ䠅 A-5 ➨୍ཎ⌮㟁Ꮚ≧ែィ⟬ἲ䜢䜒䛸䛻䛧䛯㧗 ㉸ఏᑟయ䛻䛯䛔䛩䜛㟁Ꮚ≧ែィ⟬ ୕⃝㈗ᏹ 䠄ᮾிᏛ䠅 A-6 ᐦᗘ⾜ิ⧞䜚㎸䜏⩌䜢⏝䛔䛯㔞ᏊᏛィ⟬ ᰗẎ 䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅 A-7 䝯䝙䞊䝁䜰䝥䝻䝉䝑䝃䛸㔞ᏊᏛ Ᏻ⏣⪔ 䠄ྡྂᒇᏛ䠅 A-8 㧗⢭ᗘMP2-F12ἲ䛻䜘䜛䝣䝷䞊䝺䞁䛾㉸୪ิ㔞ᏊᏛィ⟬ す⿱ஓ 䠄⚄ᡞᏛ䠅 A-9 㔞Ꮚྂᑐᛂ䛻䛚䛡䜛≉␗Ⅼ䛾㝖ཤ䠖㉸ከయ㔞ᏊືຊᏛ䛻ྥ䛡䛶 㧗ሯኵ 䠄ᮾிᏛ䠅 A-10 ୕ḟඖ⁐፹ᵓ㐀䛾ศᕸ㛵ᩘ⌮ㄽ బ⸨ၨᩥ 䠄ி㒔Ꮫ䠅 䖂➨㒊 䛂ḟୡ௦ඛ➃䝕䝞䜲䝇⛉Ꮫ䛃 B-1 RSPACE䜢⏝䛔䛯㟁Ꮚᵓ㐀䞉㍺㏦≉ᛶ䝅䝭䝳䝺䞊䝅䝵䞁 ᑠ㔝ஓ 䠄㜰Ꮫ䠅 B-2 䝅䝸䝁䞁⾲㠃ୖ䛾䝀䝹䝬䝙䜴䝮䝝䝑䝖䜽䝷䝇䝍䞊ᡂ㛗䛻ᑐ䛩䜛䜸䞊䝎䞊Nἲ ➨୍ཎ⌮ィ⟬ ᐑᓮ๛ 䠄≀㉁䞉ᮦᩱ◊✲ᶵᵓ䠅 B-3 ศ⤫ᆺᐇ✵㛫DFT䝁䞊䝗䜢⏝䛔䛯䝝䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁 ᗞఙᏊ 䠄㇏⏣୰ኸ◊✲ᡤ䠅 B-4 䝘䝜ᵓ㐀య䛻䛚䛡䜛㏆᥋ሙගບ㉳䝎䜲䝘䝭䜽䝇䛾➨୍ཎ⌮ィ⟬ ಙᐃඞᖾ 䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅 B-5 㧗ᙉᗘ䝟䝹䝇ග䛸≀㉁䛾┦స⏝䜢グ㏙䛩䜛➨୍ཎ⌮䝬䝹䝏䝇䜿䞊䝹 䝅䝭䝳䝺䞊䝅䝵䞁 ▮ⰼ୍ᾈ 䠄⟃ἼᏛ䠅 B-6 ⏺㠃☢Ẽ␗᪉ᛶ䜶䝛䝹䜼䞊䛾ᐇドィ⟬䛸㥑ື㟁⏺㜈್䛾ண ᑠ⏣❳ᶞ 䠄㔠ἑᏛ䠅 B-7 ➨୍ཎ⌮㟁Ꮚ≧ែィ⟬䝁䞊䝗OpenMX䛾㉸୪ิཬ䜃㧗⢭ᗘ ᑿᓮὈຓ B-8 ከᵝ䛺⤖ᬗ䛻䛚䛡䜛䝣䜷䝜䞁䛾㠀ㄪᛶ䛻㛵䛩䜛┤᥋ⓗィ⟬ ᮾᚋ⠜ྐ 䠄ி㒔Ꮫ䠅 B-9 ➨୍ཎ⌮䝖䝷䞁䝇䝁䝸䝺䜲䝔䜱䝑䝗ἲ䛻ᇶ䛵䛟䝆䝱䝇䝖䝻䜴ᅉᏊ᭱㐺䛾᪂ᡭἲ ㉺ᬛṇஅ 䠄ᮾிᏛ䠅 㻝 䠄㝣ඛ➃⛉Ꮫᢏ⾡Ꮫ㝔Ꮫ䠅 添付資料 ２ 䖂➨୕㒊 䛂ศᏊᶵ⬟䛸≀㉁䛃 C-1 ගᶵ⬟ศᏊ䛾≀ᛶᏛ䠖Direct SAC-CIἲ䛻䜘䜛ඹᙺ⣔ศᏊ䛾◊✲ ⚟⏣Ⰻ୍ 䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅 C-2 䝘䝜䝇䜿䞊䝹䛾Ꮫᛂ䜢ྲྀ䜚ᢅ䛖DC-DFTBἲ䛾㛤Ⓨ䛸୪ิ す⃝ᏹ C-3 ศ⤫MP2䝥䝻䜾䝷䝮䛾᭱㏆䛾ᒎ㛤䛸ᛶ⬟ホ౯ ᑠᯘṇே 䠄᪩✄⏣Ꮫ䠅 C-4 ศᏊືຊᏛィ⟬䝋䝣䝖MODYLAS䛾㛤Ⓨ䛸ᕧศᏊ㞟ᅋ⣔ 䝅䝭䝳䝺䞊䝅䝵䞁䜈䛾ᒎ㛤 Ᏻ⸨ 䠄ྡྂᒇᏛ䠅 C-5 ᑠඣ䝬䝠䜴䜲䝹䝇䛾ཎᏊ䝅䝭䝳䝺䞊䝅䝵䞁 ᒸᓮ㐍 䠄ྡྂᒇᏛ䠅 C-6 䝣䝷䜾䝯䞁䝖ศᏊ㌶㐨ἲ䛸⁐፹䝰䝕䝹䛸䛾⼥ྜἲ䛸 䛭䛾ゎᯒⓗ䜶䝛䝹䜼䞊໙㓄䛾㛤Ⓨ ᾆኵ 䠄⚄ᡞᏛ䠅 C-7 ᣑᙇ䜰䞁䝃䞁䝤䝹ἲ䛻䜘䜛ศᏊ䛾ᵓ㐀䛸ᶵ⬟䛾ゎ᫂ ᒸᮏ♸ᖾ 䠄ྡྂᒇᏛ䠅 C-8 ᆒ୍䛚䜘䜃ᆒ୍Ỉ⁐ᾮ⣔䛻䛚䛡䜛ΰྜ⁐፹ຠᯝ䛾⮬⏤䜶䝛䝹䜼䞊ゎᯒ ᯇᯘఙᖾ 䠄ி㒔Ꮫ䠅 C-9 䝭䝉䝹䛾⏕ᡂ䛸㞴⁐ศᏊ䛾ྍ⁐䛾ศᏊືຊᏛ䝅䝭䝳䝺䞊䝅䝵䞁 ྜྷ⠊⾜ 䠄ྡྂᒇᏛ䠅 䠄᪩✄⏣Ꮫ䠋ศᏊ⛉Ꮫ◊✲ᡤ䠅 䖂➨ᅄ㒊 䛂䜶䝛䝹䜼䞊䛃 D-1 䝘䝜ᵓ㐀ไᚚ䛻䜘䜛䜹䝹䝁䝟䜲䝷䜲䝖ᆺ䛚䜘䜃II-VI᪘ྜ≀ኴ㝧㟁ụᮦᩱ䛾 ィ⟬ᶵ䝬䝔䝸䜰䝹䝕䝄䜲䞁 బ⸨๎ 䠄㜰Ꮫ䠅 D-2 ගቑឤ䛾ྜ⌮ⓗศᏊタィ䛻䜐䛡䛶䠖⎔ቃຠᯝ䛸ບ㉳䜶䝛䝹䜼䞊⛣ື 㛗㇂ᕝ῟ஓ 䠄ᾏ㐨Ꮫ䠅 D-3 3D-RISM-SCF䛻䜘䜛䝢䝻䝸䞁㓟䛾ຍỈศゎᛂゎᯒ ྜྷ⏣⣖⏕ 䠄ᕞᏛ䠅 D-4 First-Prniciples Molecular Dynamics under Constant Potential Nicephore Bonnet 䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䠋ᮾிᏛ䠅 D-5 ➨୍ཎ⌮ศᏊືຊᏛィ⟬䝁䞊䝗STATE䛾ி䝁䞁䝢䝳䞊䝍䛷䛾 ィ⟬ຠ⋡ྥୖ䜢┠ᣦ䛧䛯ᨵⰋ ✄ᇉ⪔ྖ 䠄㜰Ꮫ䠅 D-6 㟁ᴟ⏺㠃䛾ゎᯒ䛸ᣑᙇ䜰䞁䝃䞁䝤䝹ἲ䛾㐺⏝ ᮡ㔝ಟ 䠄ᮾிᏛ䠅 D-7 㧗ᛶ⬟䝸䝏䜴䝮䜲䜸䞁㟁ụ䛾㛤Ⓨ䛻ྥ䛡䛯ᇶ♏ⓗ◊✲ ⬥ 䠄᪥⏘⮬ື㌴ᰴᘧ♫䠅 D-8 䝯䝍䞁䝝䜲䝗䝺䞊䝖䛾ศゎ㐣⛬䛾ศᏊືຊᏛィ⟬ ▮䞄ᓮ⌶☻ 䠄ᒸᒣᏛ䠅 D-9 ᭷ᶵ䞉Ⰽ⣲ቑឤᆺኴ㝧㟁ụ䛻䛚䛡䜛ග㟁ኚ䛾ᇶ♏㐣⛬(2) ᇛ㔝ுኴ 䠄ᮾிᏛ䠅 D-10 䜽䝷䝇䝺䞊䝖䝝䜲䝗䝺䞊䝖ᇶ䛾䜺䝇㈓ⶶᮦᩱ䛾⌮ㄽ◊✲ Ỉ㛵༤ᚿ 䠄ᮾᏛ䠅 D-11 እ㒊㟁ሙୗ䛻䛚䛡䜛C60ศᏊ䛾ගບ㉳䝇䝨䜽䝖䝹➨୍ཎ⌮ィ⟬ 㔝ཱྀⰋྐ 䠄ᮾிᏛ䠅 D-12 ᐇ⏝ᮦᩱ䛾㣕㌍ⓗ㧗ᛶ⬟䛻䜐䛡䛯 䝬䝹䝏䝇䜿䞊䝹⤌⧊タィ䞉ホ౯᪉ἲ䛾㛤Ⓨ ⃝⏣ⱥ᫂ 䠄᪂᪥㚩ఫ㔠ᰴᘧ♫䠅 㻞 添付資料 ２ 䖂ᮦᩱᡓ␎ㄢ㢟䞉≉ูᨭㄢ㢟ᥦ E-1 ྜ㔠จᅛ⤌⧊䛾㧗⢭ᗘไᚚ䜢┠ᣦ䛧䛯䝕䞁䝗䝷䜲䝖⤌⧊䛾つᶍᩘ್ィ⟬ 㔝᐀୍ 䠄ᾏ㐨Ꮫ䠅 E-2 ㉸㧗㏿ศᏊືຊᏛィ⟬䛻䜘䜛ᙉㄏ㟁యⷧ⭷䜻䝱䝟䝅䝍䛾㧗ᛶ⬟ すᯇẎ 䠄ᮾᏛ䠅 E-3 䝘䝜䜽䝷䝇䝍䞊䛛䜙⤖ᬗ䜎䛷䛾ᶵ⬟ᛶᮦᩱ䛾㟁Ꮚ䝇䝨䜽䝖䝹䛸䝎䜲䝘䝭䜽䝇 㔝䛛䛚䜛 䠄ᶓᅜ❧Ꮫ䠅 䖂୍⯡ㄢ㢟 F-1 䝣䝷䝇䝖䝺䞊䝖☢ᛶయ䛾ィ⟬⛉Ꮫⓗ◊✲ - ✵㛫␗᪉ᛶ䜢ᣢ䛴୕ゅ᱁ᏊS=1䝝䜲䝊䞁䝧䝹䜽ᙉ☢ᛶయ - 䠄ᨭㄢ㢟䠅 ୰㔝༤⏕ 䠄රᗜ┴❧Ꮫ䠅 F-2 䝨䝍䝇䜿䞊䝹䝁䞁䝢䝳䞊䝍䛻䛚䛡䜛ศᏊືຊᏛἲ䛾ྍ⬟ᛶ Ώ㎶ᐂᚿ 䠄ᮾிᏛ䠅 F-3 ᩿ὶୗ䛾⬡㉁⭷⣔䛾ᵓ㐀ᙧᡂ䚷䠄ᨭㄢ㢟䜶䞁䝖䝸䞊䠅 Ⱚ㞙ே 䠄ᮾிᏛ䠅 F-4 3d㑄⛣㔠ᒓྜ≀䛻䛚䛡䜛L2,3➃X⥺྾䝇䝨䜽䝖䝹䛾➨୍ཎ⌮ィ⟬ ụ㔝୍ 䠄ி㒔Ꮫ䠅 F-5 㔞Ꮚ䜴䜷䞊䜽ἲ䛻䜘䜛㛫౫Ꮡ䝅䝳䝺䜲䞊䝕䜱䞁䜺䞊᪉⛬ᘧ䛾ゎἲ 㛵㔝⚽⏨ 䠄㇏ᶫᢏ⾡⛉ᏛᏛ䠅 F-6 䝣䝷䝇䝖䝺䞊䝖☢ᛶయ䛻䛚䛡䜛䝖䝫䝻䝆䜹䝹┦㌿⛣䛾 つᶍ୪ิ䝰䞁䝔䜹䝹䝻䝅䝭䝳䝺䞊䝅䝵䞁 ஂಖẎ 䠄ᮾிᏛ䠅 F-7 㔞ᏊᏛ㉸୪ิィ⟬ᇶ┙䝥䝻䜾䝷䝮䛾㛤Ⓨ ▼ᮧஓ 䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅 F-8 䝫䝔䞁䝅䝱䝹䝇䝮䞊䝆䞁䜾䛻䜘䜛Wang-Landau䝃䞁䝥䝸䞁䜾䛾ᣑᙇ䛻ྥ䛡䛶 ᚿ⏣ே 䠄ᮾᏛ䠅 㻟 添付資料 3 ῧ㈨ᩱ㻌㻟䚷䛂ி䛃ヨ㦂⏝ᡂᯝሗ࿌᭩䚷䚷┠ḟ 䜰䝥䝸䜿䞊䝅䝵䞁ྡ ௦⾲⪅ 䝨䞊䝆 䖂䝘䝜⤫ྜ㛵㐃 ᢲᒣ῟䚷䠄ᮾிᏛ䠅 1 ⸨ᇽ┾䚷䠄ᮾிᏛ䠅 6 ᒸᓮ㐍䚷䠄ྡྂᒇᏛ䠅 9 㐲ᒣ㈗ᕫ䚷䠄ி㒔Ꮫ䠅 12 ᖹ⏣ᩥ⏨䚷䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅 15 Ọ℩ⱱ㻌䠄ி㒔Ꮫ䠅 ᾆኵ㻌䠄⚄ᡞᏛ䠅 22 ୰ᾈᕭ䚷䠄᪩✄⏣Ꮫ䠅 29 ▼ᶫ❶ྖ䚷䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䠅 34 MACE ⏣ṇಇ䚷䠄ᮾிᏛ䠅 37 GELLAN ኳ⬟⢭୍㑻䚷䠄⚄ᡞᏛ䠅 42 CONQUEST ᐑᓮ๛䚷䠄≀㉁䞉ᮦᩱ◊✲ᶵᵓ䠅 45 RSPACE ᑠ㔝ஓ䚷䠄㜰Ꮫ䠅 50 PIQUANDY ಙᐃඞᖾ䚷䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅 53 CASINO ๓ᅬᾴ䚷䠄㝣ඛ➃⛉Ꮫᢏ⾡Ꮫ㝔Ꮫ䠅 56 䝺䝥䝸䜹ἲຍᶵ⬟䝋䝣䝖䠖REM ᒸᮏభᖾ䚷䠄ྡྂᒇᏛ䠅 59 STATE ᮡ㔝ಟ䚷䠄ᮾிᏛ䠅 63 OpenMX (Open source package for Material eXplorer) ㇂ᐇ䚷䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䠅 67 CPMD 㤋ᒣెᑦ䚷䠄≀㉁䞉ᮦᩱ◊✲ᶵᵓ䠅 71 RSDFT つᶍ୪ิ㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ ALPS/looper modylas DDMRG (ືⓗᐦᗘ⾜ิ⧞䜚㎸䜏⩌ἲ) RISM / 3D-RISM MP2-FMO DC㔞ᏊᏛィ⟬䝥䝻䜾䝷䝮 (DC-MP2䠈DC-DFTB) QMAS (Quantum MAterials Simulator) 䖂ศ㔝䠎㛵㐃 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 䕿ᢲᒣ῟䚸ᒾ⏣₶୍䚸ෆ⏣அ䚸ྂᐙ┿அ䚸ᑠἨ୍䚸㎷⨾Ꮚ* ᡤᒓ䠄ဨศ䠅 ᮾிᏛᏛ㝔ᕤᏛ⣔◊✲⛉䚸⟃ἼᏛィ⟬⛉Ꮫ◊✲䝉䞁䝍䞊* 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected] ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 23 ᖺ 4 ᭶ 1 ᪥ 䡚 ᖹᡂ 25 ᖺ 3 ᭶ 31 ᪥ 1 添付資料 3 ʴ˩˼˃ƪˉ˹̅ 56')7 ࠄݣʊ๑ɶɾ ˠƪ˛՜ ߣफ़ਜ਼ঢઐ˙ˢʶˋҟౙʍɾʠʊ˜ˠۥਚʍ୕ࣳੌʱສʍਫ਼φڀʊ తضƐ ງփɶɾޟكʊʧʩʨɪʊɸʪ๗ɫɡʪƓʝɾ˜ˠѠӌʍदୈʍɾʠʊʡƒ ɼɥɶɾ m ؞ڀʍڀƔ୕ۥਚʍ҈ʎٓɪɺʉɣƓ ୩Ԫॐʊງփɶɾৌʺ˟˽ˀƪƔ୕ۥਚޟكʱࠄԨܿഒʆࠄۼ ɸʪࠬLj56')75HDO6SDFH'HQVLW\)XQFWLRQDO7KHRU\ƹ˅ƪ˛Ɠ ʊʎƒˑƪ˄˕˚ࠄԨʱˍ˽ʊഒӘɶƒʝɾҺ୕ࣳੌʱ˂˽ƪ˩ѓɶƒന ࠬޟكƐ ʉ๑ൣ Ƹऺʍೝњƹ ໑ޟكʱۼɥƓ03, ന໑ʇ 2SHQ03 ʊʧʪˋ˾˕˛ന໑ʱഡ๑ɶɾˡʶ˨˼ ˕˛ന໑Ɠ ࣝࢦࣜࢬ࣒ࡋ࡚ࡣ㸪₇⟬㈇Ⲵࡢ㔜࠸㸪ࢢ࣒ࣛࢩ࣑ࣗࢵࢺ┤㒊ศࢆࢢࣝ ࣮ࣆࣥࢢࡼࡿ⾜ิ₇⟬㸪㒊ศᑐゅ Divide-and-conquer ἲ࠶ࡿ࠸ࡣ Eigen(ᮧಇᖾඛ⏕㸦AICS㸧㛤Ⓨ)ࢆ᥇⏝ࡋ࡚࠸ࡿ㸬ࡲࡓࠊḈ-ᮡᾆἲࡼࡿ ᅛ᭷್ၥ㢟ゎἲࡢᐇࡶ⾜ࡗ࡚࠸ࡿࠋ ᭱⤊ⓗ 24,576 ࣀ࣮ࢻࡲ࡛ࡢࣀ࣮ࢻᣑࡢ᮲௳ࢆࢡࣜࡋࡓࠋ12,288 ࣀ࣮ࢻ ࡢẚ㍑࡛ࡣ୪ิຠ⋡ 76.4%࡛࠶ࡿࠋࡲࡓ 24,576 ࣀ࣮ࢻ࡛ࡢᐇ⾜₇⟬ᛶ⬟ࡣ ҟౙׅࣳƸઅ१ఉƐ 1.24PFLOPS ࡛ࠊࣆ࣮ࢡẚࡢ 39%ࢆ㐩ᡂࡋ࡚࠸ࡿࠋࡇࢀࡽࡢ㧗࠸ᛶ⬟ࡣ⾜ิ✚ ന໑୩Ɛࠄۼ१ఉஉʱ ₇⟬ࡼࡿࡇࢁࡀࡁ࠸ࠋᕪศἲࡸ㠀ᒁᡤ࣏ࢸࣥࢩࣕࣝ₇⟬㒊ศ➼ࡢ BLAS3 கʝɧɾ२ׅࣳƐڇ ࢆ࠼࡞࠸㒊ศࡢᛶ⬟ࡣࡲࡔࡲࡔᨵⰋࡢవᆅࡀ࠶ࡿᛮࢃࢀࡿࠋ ࣳʍฆஉʱଜສ ʊ՝ݢђɴɣƑ ƹ Ƹऺʍೝњƹ 2 添付資料 3 㸦㸯㸧100,000 ཎᏊ⣔ࡢ➨୍ཎ⌮ィ⟬ ⌮◊̿⟃Ἴ̿ᮾ̿ᐩኈ㏻ࡢඹྠࡼࡾ㸪 ࠕிࠖࡢ⣙㸱ศࡢ㸰ࡢࣜࢯ࣮ࢫࢆ ⏝ࡋ㸪ࢼࣀ࣮࣡ࣖ100,000 ཎᏊつᶍ㟁Ꮚ≧ែィ⟬ࢆᐇ⾜ࡋ㸪ᐇຠᛶ⬟ 3.08 ࣌ ࢱࣇࣟࢵࣉࢫ㸦ᐇ⾜ຠ⋡ 43.6%㸧ࢆ㐩ᡂࡋࡓ㸬ࡇࢀࡼࡾ㸪㸰㸮㸯㸯ᖺᗘࢦ࣮ ࢻࣥ࣋ࣝ㈹㸦᭱㧗ᛶ⬟㈹㸧ࢆཷ㈹ࡋࡓ㸬㻌 㻌 㸦㸰㸧ᩘཎᏊ⣔ Si ࢼࣀ࣡ࣖࡢ㟁Ꮚ≧ែᐦᗘ ┤ᚄ 10nm㸪㛗ࡉ 3nmࠥ10nm ࠸࠺ࢧࢬࡢ Si ࢼࣀ࣡ࣖ㸪ཎᏊᩘࡋ ࡚㸯ࠥ㸲ཎᏊ⣔ࡢ㟁Ꮚ≧ែࡢ⮬ᕫ↓᧐╔ィ⟬ࢆ㐩ᡂࡋࡓࠋᐇ㝿 Si ࢼ ࣀ࣡ࣖࡀࢺࣛࣥࢪࢫࢱࡋ࡚⏝ࡉࢀࡿୡ௦࡛ࡣࢳࣕࢿࣝ㛗ࡣ 10nm ௨ ୗ࡞ࡗ࡚࠾ࡾ㸪ᅇࡢィ⟬ࡣࠊᐇࢹࣂࢫࢧࢬ࡛ࡢ➨୍ཎ⌮㟁Ꮚ≧ែィ ⟬ࡀᐇ⌧ࡋࡓࡇࢆ♧ࡍࡶࡢ࡛࠶ࡿ㸬࣡ࣖࡢ㛗ࡉ㸦ࢳࣕࢿࣝ㛗㸧ࡀ 3nm ࡽ 10nm ఙࡧࡿࡘࢀࠊ㟁Ꮚ≧ែࡣ୍ḟඖ⣔≉᭷ࡢᵓ㐀࡞ࡿࡇ ࡀணࡉࢀࡿࡀ㸪ᐇ㝿ࡣ 10nm ࠸࠺㛗ࡉ࡛ࡣ୍ḟඖⓗ࡞㟁Ꮚ≧ែᐦ ᗘࡢⓎᩓࡣぢࡽࢀ࡞࠸ࡇࡀࢃࡗࡓ㸦ᅗ㸯㸧 㸬ࡲࡓ┤ᚄ 10nm ࡢᙧ㸪㛗 ㍈ 14nm࣭▷㍈ 7nm ࡢᴃᙧ㸪┤ᚄ 10nm ࡢᙧ࡛࿘ᅖࣛࣇࢿࢫࢆᣢࡘ ᩿㠃㸦࠸ࡎࢀࡶ㛗ࡉ 3nmࠊ⣙୍ཎᏊࡢ⣔㸧ࡢ Si ࢼࣀ࣡ࣖࡢ≧ែᐦᗘࢆ ߒٽ๑ʊʧʪ २Ѣҩ๗ ẚ㍑ࡋࡓࡇࢁ㸪 ࡇࢀࡽ᩿㠃ᙧ≧ࡢ㐪࠸ࡀ㟁Ꮚ≧ែࡁࡃᙳ㡪ࡍࡿࡇࡀ ࢃࡗࡓࠋ㻌 Ƹऺʍೝњƹ ᅗ㸯㸸┤ᚄ 10nm㸪(110)᩿㠃㸪㛗ࡉ 3nm,5nm,10nm ࡢ SiNW ࡢ≧ែᐦᗘ㸬 㯮Ⅼ⥺ࡣ↓㝈㛗ࡢ SiNW ࡢ≧ែᐦᗘ㸬 3 添付資料 3 㸦㸱㸧Ḉ-ᮡᾆἲࡼࡿᩘཎᏊ⣔ࡢࣂࣥࢻᵓ㐀ィ⟬ 」⣲࿘ᅇ✚ศࡼࡾࠊ✚ศ㊰ࡢෆഃ࠶ࡿᅛ᭷್ࡢࡳࢆྲྀࡾฟࡋ࡚ィ⟬ࡍࡿࡇ ࡀ࡛ࡁࡿḈ-ᮡᾆἲࡢ RSDFT ୖࡢᐇࢆ⾜࠸ࠊࡇࢀࢆᩘཎᏊつᶍࡢ Si ࢼࣀ࣡ࣖࡢࣂࣥࢻᵓ㐀ィ⟬ᛂ⏝ࡋࡓࠋ㏻ᖖࣂࣥࢻᵓ㐀ィ⟬ࡣࠊ⮬ᕫ↓㐨 ╔ồࡵࡽࢀࡓ࣏ࢸࣥࢩࣕࣝࢆ⏝࠸࡚ࠊἼᩘ࣋ࢡࢺࣝ࠸࠺ࣃ࣓࣮ࣛࢱኚࡉ ࡏ࡞ࡀࡽከᩘᅇࠊᅛ᭷್ၥ㢟ࢆゎࡁ┤ࡍࡇ࡛⾜ࢃࢀࡿࠋࡋࡋࡑࡢ₇⟬㔞ࡣ ⮬ᕫ↓㐨╔ィ⟬ྠࡌࡃཎᏊᩘࡢ㸱ẚࡋ࡚ቑࡋࠊつᶍ⣔࡛ࣂࣥࢻࡢ ࣂࣥࢻᵓ㐀ࢆᚓࡿࡣ㠀ᖖᅔ㞴࡛࠶ࡗࡓࠋᅇࠊḈ-ᮡᾆἲࢆᛂ⏝ࡋࠊ㸯 ཎᏊつᶍࡢ Si ࢼࣀ࣡ࣖࡢࣂࣥࢻᵓ㐀ࢆᚓࡿࡇࡀ࡛ࡁࡓ㸦ᅗ㸰㸧ࠋྠᡭἲࡣ ᚋࡢゎᯒከ࠸ᙺ❧ࡘᮇᚅ࡛ࡁࡿࠋ ᅗ㸰㸸┤ᚄ 10nmࠊ(110)᩿㠃 Si ࢼࣀ࣡ࣖ㸦⣙㸯ཎᏊ㸧ࡢఏᑟᖏᗏ㏆ࡢࣂ ࣥࢻᵓ㐀 ᐇ㝿ࡢࢹࣂࢫືస࡛ࡢࢩ࣑࣮ࣗࣞࢩࣙࣥࢆ⾜࠺ࡓࡵ㸪ࣂࢫ㟁ሙୗ࡛ گܩʍكѾƐୈං ࡢ㟁Ꮚ≧ែィ⟬ࣉࣟࢢ࣒ࣛࡢ㛤Ⓨᛂ⏝ࡀィ⏬ࡉࢀ࡚࠸ࡿ㸬 4 添付資料 3 ࠙Ꮫ⾡ㄅࠚ 㸯㸧Y. Hasegawa, J.-I. Iwata, M. Tsuji, D. Takahashi, A. Oshiyama, K. Minami, T. Boku, F. Shoji, A. Uno, M. Kurokawa, H. Inoue, I. Miyoshi, M. Yokokawa, “First-principles calculations of electron states of a silicon nanowire with 100,000 atoms on the K computer”, SC11 Proceedings of 2011 International Conference for High Performance Computing, Networking, Storage and Analysis. 㸦ᐩኈ㏻࣭⌮◊࡛ࡣୗグࡢ࣮࣌ࢪࣜ ࣥ ࢡ ࡀ ᙇ ࡗ ࡚ ࠶ ࡾ ㄽ ᩥ ࡀ ࢲ ࢘ ࣥ ࣟ ࣮ ࢻ ࡛ ࡁ ࡲ ࡍ http://dl.acm.org/ citation.cfm?id=2063386㸧ࢦ࣮ࢻࣥ࣋ࣝ㈹ཷ㈹ㄽᩥ㸬 㸰㸧Y㸬Futamura, T㸬Sakurai, S㸬Furuya, J. –I. Iwata, “Efficient Algorithm for Linear Systems Arising in Solutions of Eigenproblems and its Application to Electronic Structure Calculations”, VECPAR2012, accepted. 㸦http://nkl.cc.u-tokyo.ac.jp/VECPAR2012/㸧 㸱㸧ྂᐙ┿அࠊᒾ⏣₶୍ࠊ㛗㇂ᕝᖾᘯࠊᯇୗ㞝୍㑻ࠊᢲᒣ῟ࠊ㈡㇂ಙᖾࠊ” ࢩࣜࢥࣥࢼࣀ࣡ࣖࡢࢩ࣑࣮ࣗࣞࢩࣙࣥȧ-CAVE ࢩࢫࢸ࣒ࡼࡿྍど ”ࠊྍどሗᏛㄅ 32, pp10-15 (2012). ࠙ㅮ₇ࠚ ഞƐ۾СƐ ɼʍࡰഐ 㸯㸧ᒾ⏣₶୍ࠊ ࠕᐇ✵㛫ᐦᗘỗ㛵ᩘἲࢥ࣮ࢻ RSDFT ࡼࡿつᶍ㟁Ꮚ≧ែ ィ⟬ࠖ ࠊ2011 ᖺᗘ⌮◊ࢩ࣏ࣥࢪ࣒࢘ࠕୡ⏺᭱㏿ࡢிࠊࡑࡢḟࠖ ࠊ2012 ᖺ 2 ᭶ 16 ᪥ࠊ⌮Ꮫ◊✲ᡤࠊගᕷ 㸰㸧ᒾ⏣₶୍ࠊ ࠕᐇ✵㛫ᐦᗘỗ㛵ᩘࣉࣟࢢ࣒ࣛࡢ㛤Ⓨࢼࣀᵓ㐀≀㉁ࡢ㟁Ꮚ ≧ែィ⟬ࠖ ࠊ➨ 74 ᅇሗฎ⌮Ꮫᅜ࣋ࣥࢺ⏬ࠕࢫࣃࢥࣥࣉࣜ 㛤Ⓨ᭱๓⥺ࠖࠊ2011 ᖺ 3 ᭶ 8 ᪥ࠊྡྂᒇᕤᴗᏛࠊྡྂᒇᕷ ȥƹA. Oshiyama, “Materials Design though Computics: Nanostructures of Silicon and Carbon”, VECPAR2012, 㸦 http://nkl.cc.u-tokyo.ac.jp/ VECPAR2012/㸧 ȦƹJ.-I. Iwata, “First-principles electronic structure calculations with K computer”, Theory and Applications of Computational Chemistry (TACC2012), 2-7 Sep, 2012, Pavia, Italy ȧƹY. Futamura, T. Sakurai, S. Furuya, J. Iwata, “Efficient algorithm for solving linear systems arising from a sparse eigensolver”, Parallel Matrix Algorithms and Applications (PMAA2012), 28-30 June 2012, Birbeck University of London, UK 6㸧ྂᐙ┿அࠊ ࠕᐇ✵㛫ᐦᗘỗ㛵ᩘࣉࣟࢢ࣒ࣛ RSDFT ࡢ㛤Ⓨᅛయ⣔ ࡢ㐺⏝ࠖ ࠊඛ㥑ⓗィ⟬⛉Ꮫ㛵ࡍࡿࣇ࢛࣮࣒ࣛ 2012ࠥிࢥࣥࣆ࣮ࣗࢱࡢ⏝ ྥࡅࡓศᏊ⛉Ꮫ࡛ࡢྲྀࡾ⤌ࡳࠥࠊ2012 ᖺ 2 ᭶ 24 ᪥ࠊᕞᏛሗᇶ┙ ◊✲㛤Ⓨࢭࣥࢱ࣮ 5 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 䖣⸨ᇽ┾䚸ᯇᑿᙪ䚸タᴦ⚽அ䚸ᕝᓥ┤㍤䚸ᐩ⏣♸ ᡤᒓ䠄ဨศ䠅 ᮾ≀ᛶ◊䚸ᮾ㝔ᕤ(⌧ RIST)䚸ᐩኈ㏻䚸ᮾ≀ᛶ◊䚸ᮾ≀ᛶ◊(⌧ Ⱚᕤ) 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected] ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 23 ᖺ 4 ᭶ 1 ᪥ 䡚 ᖹᡂ 25 ᖺ 3 ᭶ 31 ᪥ 6 添付資料 3 ʴ˩˼˃ƪˉ˹̅ ࠄݣʊ๑ɶɾ ˠƪ˛՜ つᶍ୪ิ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲ$/36ORRSHU ࣀ࣮ࢻ 㧗ᗘ୪ิࡉࢀࡓ࣮ࣝࣉࣝࢦࣜࢬ࣒㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࡼࡾࠊ㔞Ꮚᙉ తضƐ ☢ᛶయ࠾ࡅࡿᣦᩘ㛵ᩘⓗᑠࡉ࡞࢚ࢿࣝࢠ࣮ࢠࣕࢵࣉࡢ⢭ᐦ ᐃࡸࠊ᪂ወ࡞ 㔞Ꮚ┦㌿⛣⮫⏺⌧㇟ࡢゎ᫂ࢆ┠ᣦࡍࠋ 㐃⥆㛫࣮ࣝࣉࣝࢦࣜࢬ࣒ࢆ⏝࠸ࡓ㔞Ꮚࢫࣆࣥ⣔ࡢࣔࣥࢸ࢝ࣝࣟィ⟬ࠋ㐃 ⥆㛫⤒㊰✚ศ⾲♧ࡶ࡙࠸࡚࠾ࡾࠊ㛫㞳ᩓㄗᕪࡢ࡞࠸⢭ᗘࡢ㧗࠸ ィ⟬ࡀྍ⬟࡞ࡗ࡚࠸ࡿࠋࡲࡓࠊୡ⏺⥺ࡢ᭦᪂ࡣ࣮ࣝࣉࣝࢦࣜࢬ࣒ࢆ⏝࠸ ࠬޟكƐ ʉ๑ൣ Ƹऺʍೝњƹ ࡚࠸ࡿࠋ࣮ࣝࣉࣝࢦࣜࢬ࣒࡛ࡣ࣮ࣝࣉࡤࢀࡿ༢࡛ୡ⏺⥺ࢆ᭦᪂ࡍࡿࡀࠊ ࣮ࣝࣉࡢࡁࡉࡣ⣔ࡢ┦㛵㛗┤᥋ᑐᛂࡍࡿࠋࡑࡢࡓࡵࠊ┦㌿⛣Ⅼ㏆ഐࡸᴟప 㡿ᇦ࠾࠸࡚ࡶୡ⏺⥺㓄ࡢ⦆ࡣ㠀ᖖ㏿࠸ࠋࡋࡋ࡞ࡀࡽࡑࡢ୍᪉࡛ࠊ ࣮ࣝࣉࡢᵓ⠏ࡣᒁⓗ࡞ሗࡀᚲせ࡛࠶ࡾࠊࡑࡢ୪ิࡣ⮬࡛᫂ࡣ࡞࠸ࠋᡃࠎ ࡣࠊ㛫᪉ྥࡣ 03, ࣉࣟࢭࢫ୪ิࡼࡿ EXWWHUIO\XQLRQILQGDOJRULWKPࠊ ᐇ✵㛫᪉ྥࡣ 2SHQ03 ࢫࣞࢵࢻ୪ิࡼࡿ ZDLWIUHHXQLRQILQGDOJRULWKP ࢆ㛤Ⓨࡋࠊつᶍ࡞୪ิࢆᐇ⌧ࡋ࡚࠸ࡿࠋ ࣭%RRVW ࣛࣈࣛࣜࠊ$/36 ࣛࣈࣛࣜࡢிࡢ⛣᳜సᴗࢆ⾜ࡗࡓࠋࡇࡢ㐣⛬࡛ &ࢥࣥࣃࣛࡢලྜࢆᩘከࡃⓎぢࡋࠊࢥࣥࣃࣛࡢྥୖ㈉⊩ࡋࡓࠋ ࣭㛫᪉ྥࡢ 03, ࣉࣟࢭࢫ୪ิࡘ࠸࡚ࠊᚑ᮶ࡢࢶ࣮ࣜ᪉ᘧຍ࠼ࠊࣂࢱ ࣇࣛ᪉ᘧࠊࣂࢣࢶ࣮ࣜࣞ᪉ᘧ࡞ࢿࢵࢺ࣮࣡ࢡࢺ࣏ࣟࢪ࣮ྜࢃࡏࡓ㏻ಙ᪉ ᘧࢆ㛤Ⓨࡋࠊிࡢ 7RIX ࢿࢵࢺ࣮࣡ࢡ࡛ࡢᛶ⬟ ᐃࢆ⾜ࡗࡓࠋ ࣭ᐇ✵㛫᪉ྥࡢ 2SHQ03 ࢫࣞࢵࢻ୪ิࡘ࠸࡚ࠊZDLWIUHHXQLRQILQGDOJRULWKP ࢆி⛣᳜ࡍࡿࡓࡵࠊࣥࣛࣥࢭࣥࣈࣛࡼࡾ &$6FRPSDUHDQGVZDSࢆ ҟౙׅࣳƸઅ१ఉƐ ⏝࠸ࡓࢥ࣮ࢻࢆᐇࡋࠊ ࢫࣞࢵࢻ࡛ ௨ୖࡢ୪ิ⋡ࠊ௨ୖࡢ㧗࠸୪ิ ന໑୩Ɛࠄۼ१ఉஉʱ ຠ⋡ࢆᐇ⌧ࡋࡓࠋ கʝɧɾ२ׅࣳƐڇ ࣭ࢹ࣮ࢱ࣓ࣥ 7/% ࣑ࢫࠊ ḟࢹ࣮ࢱ࢟ࣕࢵࢩ࣑ࣗࢫࡼࡾࡁ࡞࣮ࣟࢻࣥ ࣳʍฆஉʱଜສ ࣂࣛࣥࢫࡀ⏕ࡌ࡚࠸ࡿࡇࡀ᫂ࡽ࡞ࡗࡓࠋࡇࡢၥ㢟ࢆゎỴࡍࡿࡓࡵࠊ ʊ՝ݢђɴɣƑ ƹ UHVHUYH 㛵ᩘࢆ⏝࠸ࡓ YHFWRU ࡢึᮇ࣓ࣔࣜ☜ಖࠊ࣮ࣛࢪ࣮࣌ࢪࢧࢬࡢ᭱㐺 Ƹऺʍೝњƹ ࡞ࢆ⾜ࡗࡓ⤖ᯝࠊ࣮ࣟࢻࣂࣛࣥࢫࡀࡁࡃᨵၿࡉࢀࠊࣔࣥࢸ࢝ࣝࣟࢫࢸࢵࣉ య࡛ࡶ ಸᛶ⬟ࡀᨵၿࡋࡓࠋ ࣭03, 2SHQ03 ࡢࣁࣈࣜࢵࢻ୪ิࡼࡾࠊ ࣀ࣮ࢻ ࣀ࣮ࢻࡢẚ ㍑࡛ ࡢ࣮࢘ࢡࢫࢣ࣮ࣜࣥࢢᛶ⬟ࢆ㐩ᡂࡋࡓࠋ ࣭ ࣀ࣮ࢻ࠾ࡅࡿᛶ⬟㸸0,36 ⌮ㄽࣆ࣮ࢡᛶ⬟ࡢ ࠊ)/236 ⌮ㄽࣆ࣮ࢡ ್ࡢ ࣭࣮ࣝࣉࣝࢦࣜࢬ࣒ࡢ≉ᛶࢆ⪃៖ࡋࠊ₇⟬㒊㏻ಙ㒊ศࡋ࡚ ࣀ࣮ ࢻ࠾ࡅࡿᛶ⬟ࢆ᥎ᐃࡋࡓࠋ 7 添付資料 3 ୗᅗࡣி࠾ࡼࡧ≀ᛶ◊ࢩࢫࢸ࣒ B ࡼࡿ S=4 ᙉ☢ᛶࣁࢮࣥ࣋ࣝࢢ㙐ࡢࢠࣕ ࢵࣉ ᐃࡢ⤖ᯝ࡛࠶ࡿࠋ㠀ᖖ⢭ᗘࡢ㧗࠸⤖ᯝࡀᚓࡽࢀࡓࠋ24576 ࣀ࣮ࢻࡲ࡛ ࡢ༑ศ࡞ࢫࢣ࣮ࣜࣥࢢᛶ⬟ࡀ☜ㄆࡉࢀࡓࡇࡼࡾࠊிࣀ࣮ࢻつᶍ࡛ࡢ㉸ ᆺィ⟬ࡼࡿ S=5 ᙉ☢ᛶࣁࢮࣥ࣋ࣝࢢ㙐ࡢィ⟬ࡢ┠ฎࡀࡓࡗࡓࡇ࡞ ࡿࠋ ߒٽ๑ʊʧʪ २Ѣҩ๗ Ƹऺʍೝњƹ ᅗ㸸S=4 ᙉ☢ᛶࣁࢮࣥ࣋ࣝࢢ㙐ࡢࢫࣆࣥࢠࣕࢵࣉ(ࠋ)ڦᚑ᮶ࡢୖୗ㝈ࡢぢ ✚ࡾ(㉥)ẚ 2 ᱆௨ୖ⢭ᐦ࡞್ࡀᚓࡽࢀࡓࠋ ிࣇࣝࣀ࣮ࢻつᶍࢆࡗࡓࢩ࣑࣮ࣗࣞࢩࣙࣥࡼࡾࠊS=5 ࣁࣝࢹࣥࢠࣕࢵࣉࡢ ⢭ᐦ ᐃࢆᐇ⌧ࡍࡿࠋࡲࡓࠊ⌧ᅾࠊᡓ␎ศ㔝 2 ࡢ㔜Ⅼㄢ㢟ࡋ࡚ࠊ ࠕ⬺㛢ࡌ㎸ࡵ گܩʍكѾƐୈං ⮫⏺⌧㇟ࠖࡢᩘ᳨್ドࢆ┠ᣦࡋࠊSU(N)ࡢᑐ⛠ᛶࢆࡶࡘᣑᙇࡉࢀࡓࣁࢮࣥ࣋ ࣝࢢᶍᆺ࠾ࡅࡿࠊ2 య┦స⏝(J 㡯) 4 య┦స⏝(Q 㡯)ࡢ➇ྜࡼࡿࢿ࣮ ࣝ⛛ᗎ≧ែࢲ࣮࣐࣮⛛ᗎ≧ែࡢ㛫ࡢ㔞Ꮚ┦㌿⛣ࡢつᶍ୪ิࢩ࣑࣮ࣗࣞ ࢩࣙࣥࢆᐇ⾜୰࡛࠶ࡿࠋ ᯇᑿᙪࠊࠕ୪ิࢳ࣮ࣗࢽࣥࢢࡢ㐍ࡵ᪉$/36ORRSHUࢆࠖࠊ&06,ⱝᡭᢏ ⾡ὶࠊ ᖺ ᭶ࠊ⚄ᡞ ⸨ᇽ┾ࠊࠕࣔࣥࢸ࢝ࣝࣟἲࡢⓎᒎ㔞Ꮚ☢ᛶయࡢᛂ⏝ࠖࠊィ⟬≀㉁⛉Ꮫ◊✲ ࢭࣥࢱ࣮➨ ᅇࢩ࣏ࣥࢪ࣒࢘ࠊ ᖺ ᭶ࠊ᯽ ᯇᑿᙪࠊ ࠕ࣮ࣝࣉࣝࢦࣜࢬ࣒㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࡢ03,2SHQ03ࡼࡿ㉸୪ ิࠖ ࠊ+3&6ࣁࣃࣇ࢛࣮࣐ࣥࢫࢥࣥࣆ࣮ࣗࢸࣥࢢィ⟬⛉Ꮫࢩ࣏ࣥࢪ ഞƐ۾СƐ ࣒࢘ࠊ ᖺ ᭶ࠊྡྂᒇ ɼʍࡰഐ ⸨ᇽ┾ࠊࠕつᶍ୪ิ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲ $/36ORRSHU 㔞Ꮚ☢ᛶయࡢᛂ ⏝ࠖ ࠊḟୡ௦ࢼࣀ⤫ྜࢩ࣑࣮ࣗࣞࢩࣙࣥࢯࣇࢺ࢙࢘ࡢ◊✲㛤Ⓨࢩ࣏ࣥࢪ࣒࢘ࠊ ᖺ ᭶ࠊ⚄ᡞ ⸨ᇽ┾ࠊࠕ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࡼࡿ᪂ࡋ࠸㔞Ꮚ┦࣭㔞Ꮚ┦㌿⛣ࡢ᥈ồࠖ ࠊᡓ ␎ࣉࣟࢢ࣒ࣛ ศ㔝ྜྠ࣮࣡ࢡࢩࣙࢵࣉࠊ ᖺ ᭶ࠊ⚄ᡞ ⸨ᇽ┾ࠊࠕつᶍ୪ิ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲ $/36ORRSHU 㔞Ꮚ☢ᛶయࡢᛂ ⏝ࠖࠊࢫ࣮ࣃ࣮ࢥࣥࣆ࣮ࣗࢱ࣮࣡ࢡࢩࣙࢵࣉ ࠊ ᖺ ᭶ࠊᒸᓮ 8 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 Ᏻ⸨ 㻝䚸ྜྷ⠊⾜ 㻞䚸⸨ᮏኈ 㻝䚸ᒣ⏣⠜ᚿ 㻝䚸䕿ᒸᓮ㻌 㐍 㻝䚸ᒾᶫᘓ ㍜ 㻟䚸Ỉ㇂ᩥಖ 㻟䚸ᕝ୍ཱྀ᭸ 㻠䚸㛗ᑿ⚽ᐇ 㻠䚸༡㻌 ୍⏕ 㻡䚸ᕷᕝ┿୍ 㻢䚸ᑠ ᯇ⚽⨾ 㻢䚸▼㝃㻌 ⱱ 㻢䚸Ṋ⏣ᗣᏹ 㻢䚸⚟ᓥṇ㞝 㻢 ᡤᒓ䠄ဨศ䠅 1 ྡྂᒇᏛᏛ㝔ᕤᏛ◊✲⛉䚸2 ྡྂᒇᏛᏛ㝔ᕤᏛ◊✲⛉㝃ᒓ ィ⟬⛉Ꮫ㐃ᦠᩍ⫱◊✲䝉䞁䝍䞊䚸3 ศᏊ⛉Ꮫ◊✲ᡤ䚸4 㔠ἑᏛᏛ㝔 ⮬↛⛉Ꮫ◊✲⛉䚸5 ⌮Ꮫ◊✲ᡤ䚸6 ᐩኈ㏻ᰴᘧ♫ 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected] ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 24 ᖺ 4 ᭶ 1 ᪥ 䡚 ᖹᡂ 24 ᖺ 9 ᭶ 30 ᪥ 9 添付資料 3 ʴ˩˼˃ƪˉ˹̅ ࠄݣʊ๑ɶɾ ˠƪ˛՜ PRG\ODV ிࢆ⏝࠸ࡓཎᏊࢩ࣑࣮ࣗࣞࢩࣙࣥࡼࡾࠊ≀㉁⏕ࡢቃ⏺㡿ᇦ࠶ࡿ࢘ ࣝࢫࢆィ⟬⛉Ꮫࡢಋୖࡏࠊ࢘ࣝࢫࡢศᏊㄽࢆᒎ㛤ࡍࡿࠋ≉ࠊ࢘ࣝ ࢫࡀᣢࡘ㹐㹌㸿ࢆໟࡴ࢝ࣉࢩࢻὀ┠ࡋࠊ࢝ࣉࢩࢻࣞࢭࣉࢱ࣮ࡢ≉␗࡞┦ తضƐ స⏝ࠊศᏊㄆ㆑ࢆ⮬⏤࢚ࢿࣝࢠ࣮࡛ࣞ࣋ࣝ᫂ࡽࡋࠊࡉࡽࡣ⤖ྜᚋࡢ࢝ ࣉࢩࢻᵓ㐀ࡢኚ࡞ࠊឤᰁึᮇ㐣⛬ࡢศᏊᶵᵓࡢゎ᫂ࢆᅗࡿࠋ୍᪉࡛ࠊᵓᡂ ࢱࣥࣃࢡ㉁㛫ࡢ᥋ྜᵓ㐀⇕ࡺࡽࡂࠊࡲࡓࠊ ᗘࠊ⁐፹࡞⎔ቃ౫Ꮡࡋࡓᵓ 㐀ࡢ≉ᚩ࡞ࠊ࢝ࣉࢩࢻࡢ≀⌮ⓗࠊᏛⓗᛶ㉁ࢆ᫂ࡽࡍࡿࠋ 㛗㊥㞳ຊ㸦ࢡ࣮ࣟࣥ┦స⏝㸧ࢆྵࡴ㧗୪ิỗ⏝ศᏊືຊᏛィ⟬ࣉࣟࢢ࣒ࣛࠋ )2575$1 ࡛᭩ࢀ࡚࠾ࡾࠊ03,ࠊ23(103 ࢆ⏝࠸ࡓࣁࣈࣜࢵࢻ୪ิࠋࢡ࣮ࣟࣥ┦ ࠬޟكƐ ʉ๑ൣ Ƹऺʍೝњƹ స⏝ࡢィ⟬࠾࠸࡚ ))7 ࢆᚲせࡋ࡞࠸㧗㏿ከᴟᏊᒎ㛤ἲ㸦)00㸧ࢆ࿘ᮇቃ⏺ ᮲௳ୗࡢศᏊ⣔㐺⏝ࡋࠊி࡛ࣞ࣋ࣝࡢ㧗୪ิࢆྍ⬟ࡋࡓୡ⏺ึࡢࣉࣟࢢ ࣒࡛ࣛ࠶ࡿࠋᮏࣉࣟࢢ࣒ࣛࡣ௵ពࡢศᏊ⣔ᑐࡋ࡚ỗ⏝ࡉࢀ࡚࠾ࡾࠊୖ㏙ࡢ ࢡ࣮ࣟࣥ┦స⏝ࡢィ⟬࠶ࢃࡏ࡚ࠊࢧ࢚ࣥࢫ◊✲࠸࠺ពࡽ㔜せ࡞ ࡿศᏊ⣔ࡢࢇࢆ࢝ࣂ࣮ࡍࡿᐇ⏝ⓗ࡞つᶍỗ⏝ศᏊືຊᏛィ⟬ࣉࣟࢢࣛ ࣒࡞ࡗ࡚࠸ࡿࠋ ᮏヨ㦂ᮇ㛫࠾࠸࡚ࡶ⥅⥆ࡋ࡚࣋ࣥࢳ࣐࣮ࢡࢸࢫࢺࢆᐇࡋࠊࣉࣟࢢ࣒ࣛࡢ ヲ⣽࡞ᛶ⬟ホ౯ࢆ⾜ࡗࡓࠋࡑࡢ⤖ᯝࠊிࡢࣇࣝࣀ࣮ࢻࡢ⣙ 80%ࢆ⏝ࡋࡓ 65,536 ࣀ࣮ࢻ୪ิ࠾࠸࡚ࠊ8,000 ཎᏊ⣔ᑐࡋ⌮ㄽࣆ࣮ࢡᛶ⬟ẚ 41.1%ࠊ 3.45 Pflops ࢆ㐩ᡂࡋࡓࠋᑐ 64 ࣀ࣮ࢻẚ࡛ࡢຍ㏿⋡ࢆᅗ♧ࡍࠋ65,536 ࣀ࣮ࢻ ࠾࠸࡚ࡶ 64 ࣀ࣮ࢻẚ㍑ࡋ࡚ 81%ࡢ୪ิ ന໑୩Ɛࠄۼ१ఉஉʱ கʝɧɾ२ׅࣳƐڇ ࣳʍฆஉʱଜສ ʊ՝ݢђɴɣƑ ƹ Ƹऺʍೝњƹ ຠ⋡ࢆ⥔ᣢࡋ࡚࠾ࡾࠊ༑ศ࡞ᛶ⬟ࢆ㐩ᡂࡍ ࡿࡇࡀ࡛ࡁࡓ⪃࠼࡚࠸ࡿࠋࡲࡓࠊ◊✲ㄢ 㢟ᐇᚲせ࡞ 1,000 ཎᏊ⣔つᶍࡢィ⟬ ࠾࠸࡚ࡣࠊ MD ィ⟬ 1 ࢫࢸࢵࣉᑐࡋ࡚⣙ 1000 acceleration ҟౙׅࣳƸઅ१ఉƐ 100 10 5 ms ࡢᛶ⬟ࢆ㐩ᡂࡋࠊᐇ⏝㠃࠾࠸࡚ࡶ༑ศ 㧗࠸ᛶ⬟ࢆഛ࠼࡚࠸ࡿࡇࢆᐇドࡋࡓࠋࡇ ࢀࡣࠊ つᶍ⣔ᑐࡍࡿ MD ィ⟬࠾࠸࡚ࡣࠊ ୡ⏺᭱㏿ࢡࣛࢫ࡛࠶ࡿࠋ ḟࠎ⌧ࢀࡿ࣍ࢵࢺࢫ࣏ࢵࢺᑐࡋࠊᚋ 1 100 1000 10000 100000 Nnode ᅗ 0' ィ⟬ᑐࡍࡿᑐ ࣀ࣮ࢻẚࡢຍ㏿⋡ࠋ┤⥺ࡣ⌮ ⓗ࡞୪ิຠ⋡ࠋ ࡶࡉࡽࢳ࣮ࣗࢽࣥࢢࢆ⥅⥆ࡋ࡚ᐇࡍࡿ ᚲせࡀ࠶ࡿࡢྠࠊ⮬⏤࢚ࢿࣝࢠ࣮ィ⟬ࡢࣔࢪ࣮ࣗࣝࡸᕧ࡞ࢱࣥࣃࢡ ㉁」ྜయࢆྲྀࡾᢅ࠺ୖ࡛ᚲせ࡞ᵝࠎ࡞ᶵ⬟ࢆᙉࡋ࡚࠸ࡃᚲせࡀ࠶ࡿࠋ 10 添付資料 3 ᮏヨ㦂⏝ᮇ㛫࠾࠸࡚ࡣࠊỈ୰ࡢᑠඣ࣐ࣄ࢘ࣝࢫ࢝ࣉࢩࢻᑐࡋࠊཎ Ꮚࢩ࣑࣮ࣗࣞࢩࣙࣥࢆ㛤ጞࡍࡿ㝿ࡋ࡚ᚲせ࡞ึᮇ㓄⨨ࡢ⏕ᡂ࡞ᵝࠎ࡞ึᮇ ࢆ⤒࡚Ᏻᐃⓗ࡞⇕ᖹ⾮ࢆ⾜࠸ࠊࡰ⤊ࡋࡓࠋࡑࡢ୰࡛ࠊᖹ⾮⮳ࡿ๓ࡢ ㌶㊧ࡽ࡛ࡣ࠶ࡿࡀࠊணഛⓗ࡞ゎᯒࡽ࢘ࣝࢫࡢᵓ㐀య࡛࠶ࡿ࢝ࣉࢩࢻࡢᵓ 㐀Ᏻᐃᛶࡢᐇ⌧ࡢ⤌ࡳࡘ࠸࡚ࠊ୍ᐃࡢぢ㏻ࡋࢆᚓࡓࠋ ୍᪉࡛ࠊࣞࢭࣉࢱ࣮ࡼࡿ࢘ࣝࢫㄆ㆑ࡢศᏊᶵᵓࢆ᫂ࡽࡍࡿࡓࡵࠊ࢘ ߒٽ๑ʊʧʪ २Ѣҩ๗ Ƹऺʍೝњƹ ࣝࢫ CD155 ࣞࢭࣉࢱ࣮ࡢ┦స⏝ᑐ ࡍࡿᖹᆒຊࠊ⮬⏤࢚ࢿࣝࢠ࣮ィ⟬ࢆ⾜࠺ணᐃ࡛ ࠶ࡿࡀࠊࡇࡢィ⟬ᚲせ࡞Ỉ୰࠾࠸࡚Ᏻᐃ࡞ ࣞࢭࣉࢱ࣮ࡢึᮇᵓ㐀ࢆᚓࡿࡓࡵࠊࣞࢭࣉࢱ ࣮ࡢᵓ㐀Ỵᐃࠊࡑࡋ࡚ࡑࢀᇶ࡙࠸ࡓᖹ⾮ィ ⟬ࢆᐇࡋࡓࠋࡇࢀࡼࡾࠊ⇕ᖹ⾮฿㐩ࡋ࡚ ࠸ࡿᏳᐃ࡞ࣞࢭࣉࢱ࣮ᵓ㐀ࢆᚓࡓࠋ ࡇࢀࡽࡢ⤖ᯝࡣࠊඹ⏝㛤ጞᚋࡢ⏝࠾ࡅࡿ ◊✲⏝࠸ࡽࢀࠊᘬࡁ⥆ࡁィ⟬ࠊゎᯒࢆᐇࡋ ᅗ0' ィ⟬ࡽᚓࡽࢀࡓࠊᑠ ඣ࣐ࣄ࢘ࣝࢫࡢࢫࢼࢵࣉ ࢩࣙࢵࢺࠋ ࡚࠸ࡿࠋ ࢘ࣝࢫ࢝ࣉࢩࢻᑐࡍࡿࡈࢩ࣑࣮ࣗࣞࢩࣙࣥࢆᑠඣ࣐ࣄ࢘ࣝࢫᑐ ࡋ࡚⥅⥆ᐇࡋࠊᵓᡂࢱࣥࣃࢡ㉁㛫ࡢ᥋ྜᵓ㐀ࡸ⇕ࡺࡽࡂࡘ࠸࡚ヲ⣽࡞ゎᯒ ࢆ⾜࠸ࠊ࢘ࣝࢫࡀᐇ⌧ࡋ࡚࠸ࡿᏳᐃ࡛ࡘᰂ㌾࡞ᵓ㐀ࡢᐇ㝿ࡢጼࢆࠊ⏕≀Ꮫ گܩʍكѾƐୈං ⓗ࡞ពࡶྵࡵ࡚ศᏊ࡛ࣞ࣋ࣝ᫂ࡽࡍࡿࠋ୍᪉࡛ࠊࣞࢭࣉࢱ࣮ࡼࡿ࢘ ࣝࢫㄆ㆑ࡢศᏊᶵᵓࢆ᫂ࡽࡍࡿࡓࡵࠊ࢘ࣝࢫ CD155 ࣞࢭࣉࢱ࣮ࡢ㊥ 㞳ࡢ㛵ᩘࡋ࡚⮬⏤࢚ࢿࣝࢠ࣮ィ⟬ࢆ⾜࠸ࠊ࢝ࣉࢩࢻࣞࢭࣉࢱ࣮ࡢ≉␗࡞┦ స⏝ࢆᐃ㔞ⓗ᫂ࡽࡍࡿࠋ Ꮫ⾡㞧ㄅ ࡞ࡋ ㅮ₇ 1. Y. Andoh, N. Yoshii, K. Fujimoto, A. Yamada, S. Okazaki, K. Kawaguchi, H. Nagao, K. Iwahashi, F. Mizutani, K. Minami, S. Ichikawa, H. Komatsu, S. Ishizuki, Y. Takeda, and M. Fukushima, “Development of highly parallelized general purpose molecular ഞƐ۾СƐ dynamics simulation program MODYLAS for “K computer””, FOMMS12, Portland, ɼʍࡰഐ July 2012. 2. S. Okazaki, “All-atomistic molecular dynamics calculation of viruses - Large scale computation by K-computer”, International Workshop on Recent Advances in Computaional and Theoretical Chemistry, Nagoya, November 2012. ࡑࡢฟ∧≀ 1. ᒸᓮ 㐍ࠊࠕ࢘ࣝࢫࡢཎᏊࢩ࣑࣮ࣗࣞࢩࣙࣥྥࡅ࡚ࠖࠊィ⟬ᕤᏛ 17, 2845-2848(2012). 11 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 㐲ᒣ㈗ᕫ䚸᭮⏣⦾䚸ᯇᯞᏹ᫂ ᡤᒓ䠄ဨศ䠅 ி㒔Ꮫᇶ♏≀⌮Ꮫ◊✲ᡤ䚸ྎ㧗➼ᑓ㛛Ꮫᰯ 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected] ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 23 ᖺ 4 ᭶ 1 ᪥ 䡚 ᖹᡂ 24 ᖺ 9 ᭶ 14 ᪥ 12 添付資料 3 ʴ˩˼˃ƪˉ˹̅ ''05*ஞ୩ۼ໑ؗʩܦʞ؞ ࠄݣʊ๑ɶɾ ˠƪ˛՜ ˠƪ˛ କߣਂֽٿԪ୕ػʱॴʊࠪʩΑɥॐડٰ֖ࠬʇɶʅƐ୩ۼ໑ؗʩܦ తضƐ ʞ؞'05*ɫઢʨʫʅɣʪƑචࠬʎɲʫʱஞʉഐສʍࠬޟكʗҼ ɶɾࠬʆɡʩƐֽਂԪ୕ػʍໃ՟˒ʶ˜˱ˁˋʱ૦ʘʪɲʇʱʇɸ ʪƑ '05* ʎƐφߣਂֽٿԪػʍՂଞࣳੌʍޟكʍɾʠʍˋˑ̅˒ƪ˛ʉࠬʇɶ ʅӂງɴʫʅɣʪƑɼɲʆʎƐػৌƸ DŽˋƪˣƪ˨˿˕ˁDžʇڐʕƹʱDŽˉˋ ˘˲DžʇDŽԖֻDžʊഒɶʅƐ DŽˋƪˣƪ˨˿˕ˁDžʍఔஞԪॐƸ DŽˑƪ˄˕˚ ࠬޟكƐ ʉ๑ൣ Ƹऺʍೝњƹ ࣳੌDžʇڐʕƹɪʨƐ DŽԖֻDžʍ࣮൙ʱؗʩܦʲɿDŽˉˋ˘˲Džʊɸʪ୩ۼ ໑ʱۥયɸʪƑ୩ۼ໑ʱӅѓɶƐɬʉڑอડɪʨ๗ʉॐɿɰࣳੌʱӂ ൃɸʪƑɼʍࣳੌʍॐʱ P ʆɶƐॴޟك୩ʍೀʇɸʪƑځʉޟكʆʎ ৌʅʍڑอࣳੌʱࠪʪ๗ɫɡʩƐɼʍʇɬʍ୩ۼ໑ʍڑอડʍਅʎ ʇ DŽˋƪˣƪ˨˿˕ˁDžʍఔஞԪॐ ʉʪƑ'05* ʆՂଞࣳੌʱઢʩɾɣʇɬʎƐ ʇɶʅƐ DŽˋƪˣƪ˨˿˕ˁDžʍՂଞࣳੌʱݔ๑ɸʪƑɲʍ୩ۼ໑ؗʩܦʞ؞ ʱஞʉഐສʍޟكʊҼɶɾʡʍɫ ''05* ʆɡʪƑ ᭱ࡶィ⟬ࢥࢫࢺࡢࡁ࠸⾜ิ࣭࣋ࢡࢺࣝ✚㒊ศࢆ⾜ิ࣭⾜ิ✚ኚࡋ࡚ィ⟬ ࢆ⾜࠺ࡇࡼࡾࠊ༢యᛶ⬟ࡣࡇࢀࡲ࡛ࡢᛶ⬟ẚ࡚ࡁࡃྥୖࡋࡓࠋ୪ิ ᗘࡘ࠸࡚ࡣࠊ12288 ࣀ࣮ࢻࡲ࡛ࡢ୪ิࢆᐇࡋ࡚࠸ࡿࠋᵝࠎ࡞ᨵⰋࡼࡾࠊ ⌧≧࡛ 12288 ࣀ࣮ࢻ࠾࠸࡚ 50㸣௨ୖࡢ⌮ㄽᛶ⬟ẚࢆ㐩ᡂࡋ࡚࠸ࡿࠋᚋᨵ ၿࡍࡁⅬࡋ࡚ࠊࡇࢀࡲ࡛ࡢᨵⰋࡼࡾ」㞧ࡋࡓ୪ิࢆிࡢ 3D ࢺ࣮ࣛ ࢫ࠺ࡲࡃ㐺ྜࡍࡿࡼ࠺᭱㐺ࡋࡿࡇࡀᣲࡆࡽࢀࡿࠋࡲࡓࠊ⾜ิ࣭࣋ࢡࢺࣝ ҟౙׅࣳƸઅ१ఉƐ ന໑୩Ɛࠄۼ१ఉஉʱ ✚㒊ศࡢ㧗ᛶ⬟ࢆ㐩ᡂࡋࡓ⤖ᯝ᫂ࡽ࡞ࡗࡓูࡢၥ㢟Ⅼࡢᨵၿ㸦࠼ࡤከ ᵝ࡞₇⟬Ꮚࡢኚ㐣⛬ࡢ㧗㏿㸧ࢆᐇ⾜ࡋࡓ࠸ࠋ கʝɧɾ२ׅࣳƐڇ ࣳʍฆஉʱଜສ ʊ՝ݢђɴɣƑ ƹ Ƹऺʍೝњƹ 13 添付資料 3 ୗᅗࠊ ࠕிࠖ⏝ࢳ࣮ࣗࣥࡉࢀࡓ DDMRG ࡼࡿ 1 ḟඖࣔࢵࢺ⤯⦕యࡢ 3 ḟ 㠀⥺ᙧගᏛᛂ⟅ࢫ࣌ࢡࢺࣝࡢ 16 ᱁ᏊⅬᑐࡍࡿࢩ࣑࣮ࣗࣞࢩࣙࣥ⤖ᯝࢆ♧ࡍࠋ ບ㉳࢚ࢿࣝࢠ࣮Ȱࡢศᩘࡀᑡ࡞࠸ࡓࡵࠊࣆ࣮ࢡᵓ㐀ࡀ」ᩘぢࡽࢀࡿࡀࠊศ ᩘࢆከࡃࡍࢀࡤࡼࡾ࡞ࡵࡽ࡞ࡿ⯙࠸ࡀᮇᚅࡉࢀࡿࠋȰ=2 ㏆ࡢࣆ࣮ࢡࡣ୕ ගᏊࡼࡿඹ㬆ࢆ♧ࡋ࡚࠸ࡿࠋ୍᪉ࠊȰ=3.5 ㏆ࡢᑠࡉ࡞ᵓ㐀ࡣගᏊඹ㬆 ࡼࡿࡶࡢ࡛࠶ࡿࠋ୍ḟඖࣔࢵࢺ⤯⦕యࡢ㠀⥺ᙧගᏛᛂ⟅ࢫ࣌ࢡࢺࣝࡢィ⟬⤖ᯝ ࡢሗ࿌ࡣ࠸ࡃࡘ࠶ࡿࡀࠊࡇࡢࢩࢫࢸ࣒ࢧࢬ࡛ࡢࢫ࣌ࢡࢺࣝࡢయീࡢሗ࿌ ߒٽ๑ʊʧʪ २Ѣҩ๗ Ƹऺʍೝњƹ ࡣ࡞࠸ࠋヨ㦂⏝ᮇ㛫࡛ࡣࠊ᱁Ꮚ⮬⏤ᗘࡶྵࡵࡓ୍ḟඖࣔࢵࢺ⤯⦕యࡢ㠀⥺ᙧ ගᏛᛂ⟅ࡢィ⟬ࡶ୍㒊 ᐇ⾜ࡋ࡚࠸ࡿࠋ ࡉࡽ࡞ࡿᛶ⬟ྥୖࢆ㏣ồࡍࡿࡇࡣࡶࡕࢁࢇࡢࡇࠊィ⟬ྍ⬟࡞≀⌮㔞ࡢᣑ ࡸࠊ㐺⏝ྍ⬟࡞ࣔࢹࣝࡢᣑᙇ࡞ࠊᮏࣉࣜࡢᶵ⬟ᣑᙇࢆ㔜Ⅼㄢ㢟ࡋ࡚ྲྀࡾ گܩʍكѾƐୈං ⤌ࡳࡓ࠸ࠋ≉ࠊ᪂ࡋ࠸ගࢫࢵࢳࣥࢢ⣲Ꮚࡢᮦᩱࡋ࡚ὀ┠ࡉࢀ࡚࠸ࡿ 1 ḟ ඖࣔࢵࢺ⤯⦕యࡢ 3 ḟࡢ㠀⥺ᙧගᏛᛂ⟅ࡢゎᯒࢆࠊ᱁Ꮚ⮬⏤ᗘࢆྵࡵࡓᶍᆺ࡛ ヲ⣽⾜࠸ࠊ㟁Ꮚ᱁Ꮚࡢ┦స⏝ࡼࡿຠᯝࢆ᫂ࡽࡋࡓ࠸ࠋࡑࡋ࡚ࠊࡇ ࡢ≀㉁⣔ࢆ⏝࠸ࡓḟୡ௦ගࢫࢵࢳࣥࢢ⣲Ꮚ㛤Ⓨࡢᇶ┙◊✲ࡋࡓ࠸ࠋ ƐЫޗ՞ƐDŽஞ୩ۼ໑ؗʩܦʞ؞ʊʧʪ౩࣌१ʍగʫɾȣߣ ٿҼˡˢƪ˛ثʍಝসہحӌжஊʍٰ֖DžƐਫ਼ ҉ &06, ٰ֖҇Ɛ˯ˋˑƪౙ Ɛ ٚ ௪Ƹඐӌװਦݦຟٰ֖ࢊƹ ഞƐ۾СƐ ɼʍࡰഐ ƐЫޗ՞Ɛ DŽ'\QDPLFDO '05* ʍҟౙʇж๑DžƐ˜ˠƔ˻ʶ˧ۂҟˉ̅ ˯ˊʸ˲Ɛ˯ˋˑƪౙƐ ٚ ௪Ƹज˯ڗƪ˚ʴʶ˻̅˛ˍ̅ˑƪƹ 14 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 ྜྷ⏣⣖⏕䠈ᒣ㇏䠈䕿ᖹ⏣ᩥ⏨ ᡤᒓ䠄ဨศ䠅 ศᏊ⛉Ꮫ◊✲ᡤ, ᕞᏛ 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected] ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 23 ᖺ 4 ᭶ 1 ᪥ 䡚 ᖹᡂ 24 ᖺ 3 ᭶ 31 ᪥ 15 添付資料 3 ʴ˩˼˃ƪˉ˹̅ ࠄݣʊ๑ɶɾ ˠƪ˛՜ తضƐ ȽȴȾȸƭȥȯȽȴȾȸ 8192 ˂˻̅˛˓˵˾̅ˊѳƔҿʴ˩˼˃ƪˉ˹̅ʍφʃʆɡʪȽȴȾȸƭȥȯ ȽȴȾȸ˅ƪ˛ʍ૨ന໑ѓƔ܊ਤѓʱۼɥ ȽȴȾȸƭȥȯȽȴȾȸʎ๏ࠃʇʉʪॲ܊ഒʍ๏పۥਚɩʧʒ๏ప ߭ำʺ˟˽ˀƪʱޟكɸʪɾʠʍൣʆɡʪƑච˅ƪ˛ʎɬɮഒɰʅƒ ๏ࠃ๏పԨʍਂݴک๑ອʱޟكɸʪഒʇƒȥȯȽȴȾȸൣପ߲ʱؗʩ഼ɶ ࠬޟكƐ ʊʧʪ҈ɮഒʍʃʊഒɰʨʫʪƑȥȯȽȴȾȸൣପ߲ʎࣴʞܦʞঋഒ ʉ๑ൣ ʱʟɾʠƒۄຆʧɮঋഒʱۼɥɾʠʊȥߣ܊ٿਤ˧ƪ˼ʺഷԋƸȥȯȱȱ Ƹऺʍೝњƹ ȿƹʱඬؗʩ഼ɶˋ˘˕˩ɳʇʊ९ഷԋʇօഷԋʱȣ୩ɹʃۼɥƑ ȥȯȱȱȿʍࣛʇʉʪధ໑ʎ 5123Ư20483 ପ୩ʍ՜ʆɡʩƒۄຆʧɮ ՜ന໑ѓɸʪɾʠʊલఔӌׄ܊҆ࡺ࠺׃ʨʊʧʂʅҟౙɴʫɾ Volumetric ന໑ 3D-FFT ʱݔ๑ɶʅɣʪƑ ࡇࢀࡲ࡛㸪T2K ୖ࡛つᶍ୪ิᑐᛂࢆ⾜ࡗ࡚ࡁࡓࠋࡇࡢࢥ࣮ࢻࡢிୖ࡛ࡢ ᭱㐺ࢆ⾜ࡗࡓࠋ ⾜ࡗࡓࢳ࣮ࣗࢽࣥࢢ㡯┠ࡣ ࣭ࢥࣥࣃࣝ࢜ࣉࢩࣙࣥࡢ᭱㐺 ࣭㛗ィ⟬ࡢ࣮ࣝࣉእ⛣ື ࣭㌿㏦ᅇᩘࡢపῶ ࣭ᩘᏛ㛵ᩘࡢኚ᭦ ࣭Tofu ࢿࢵࢺ࣮࣡ࢡࣉࣟࢭࢫ࣐ࢵࣆࣥࢢࡢ᭱㐺 ҟౙׅࣳƸઅ१ఉƐ ࡇࢀࡢࢳ࣮ࣗࢽࣥࢢࡼࡾ㸪256 ࣉࣟࢭࢫ୪ิ࡛ࡣ๓ฎ⌮㒊ศ࡛ 1.3~1.5 ಸ㸪 ന໑୩Ɛࠄۼ१ఉஉʱ ㌿㏦㒊ศ࡛ࡣ 1.9 ಸ⛬ᗘࡢ㧗㏿ࢆ㐩ᡂࡋࡓࠋ கʝɧɾ२ׅࣳƐڇ ࡲࡓ㸪MD ࡸ㔞ᏊᏛࣉࣟࢢ࣒ࣛࡢ㐃ᡂィ⟬ࡢ㧗ᗘࡢࡓࡵࡢࣇࣝධ ࣳʍฆஉʱଜສ ฟຊࡢ᭱㐺ࡢ᳨ウࡶ⾜ࡗࡓࠋࡇࡇ࡛ࡣḟࡢ㸲ࡘࡢ I/O ᪉ᘧࡢ᳨ウࢆ⾜ࡗࡓࠋ ʊ՝ݢђɴɣƑ ƹ ࣭࣐ࢫࢱࣉࣟࢭࢫ㞟ࡵ࡚ I/O Ƹऺʍೝњƹ ࣭ྛࣉࣟࢭࢫࡀᚲせ࡞್ࡢࡳࢆ I/O ࣭₇⟬ I/O ࢆศ㞳 ࣭MPI-I/O ࢆ⏝ࡍࡿ ࡇࢀࡽࢆ᳨ウࡋࡓ⤖ᯝ MPI-I/O ࢆ⏝ࡍࡿ᪉ᘧࡀࡢ᪉ἲẚ 7ࠥ20 ಸ⛬ᗘ ᪩ࡃ㸪ࡲࡓฟຊࡉࢀࡓࣇࣝࢧࢬࡶᑠࡉ࠸ࡇࡀศࡗࡓࠋࡇࡢࡓࡵ㸪 RISM/3D-RISM ࡛ࡣ MPI-I/O ࡼࡿࣇࣝ I/O ࢆ᥇⏝ࡍࡿࡇࡋࡓࠋ 16 添付資料 3 ࡇࢀࡲ࡛ࡢࢳ࣮ࣗࢽࣥࢢࢆᫎࡋࡓ RISM/3D-RISM ࢥ࣮ࢻࡢᛶ⬟ホ౯ࢆ⾜ ࡗࡓࠋィ⟬ᑐ㇟ࡣࢡ࣏ࣜࣥ(15096 ཎᏊ)࡛ࠊࢭࣝࡢࢢࣜࢵࢻᩘ(5123ࠊ10243ࠊ 20483)ཬࡧ⏝ࡍࡿࣀ࣮ࢻᩘ㸦2 ࡢࡁᩘ㸧ࢆኚࡉࡏ࡚ືస☜ㄆཬࡧィ⟬ 㛫ࡢ ᐃࢆ⾜ࡗࡓࠋ ࡲࡎึᮇ㒊ศࡢ㏿ᗘྥୖࡢࣀ࣮ࢻᩘ౫Ꮡᛶࢆᅗ㸯♧ࡍࠋ⏝࣓ࣔࣜࡢ㛵 ಀ࡛ 5123 ࡣ 32 ࣀ࣮ࢻࠊ10243 ࢢࣜࢵࢻࡣ 128 ࣀ࣮ࢻࡀ᭱ᑠࣀ࣮ࢻ࡞ࡗ࡚࠸ ࡿࠋ5123ࠊ10243 ࢢࣜࢵࢻඹࡰ 100%ࡢ㧗㏿ຠ⋡ࢆ♧ࡋ࡚࠸ࡿࡢࡀࢃࡿࠋ 5123 ࢢࣜࢵࢻ࡛ࡣ 2048 ࣀ࣮ࢻ㏆࡛ࡸࡸຠ⋡ࡢపୗࡀぢࡽࢀࡿࡀࠊࡇࢀࡣධ ຊࢹ࣮ࢱࡢㄞࡳ㎸ࡳࡸㄞࡳ㎸ࢇࡔࢹ࣮ࢱࢆྛࣀ࣮ࢻ㏻ಙࡍࡿ㒊ศࡢྜࡀቑ ຍࡍࡿࡓࡵ࡛࠶ࡿࠋ ᅗ㸰⧞㏉ࡋ㒊ศࡢ㏿ᗘྥୖࡢࣀ࣮ࢻᩘ౫Ꮡᛶࢆ♧ࡍࠋ᮰ࡲ࡛ࡢ⧞㏉ࡋࡀ ቑຍࡋࡓሙྜࡣィ⟬యࡢ㏿ᗘྥୖࡀ㏆ⓗࡇࡢࢢࣛࣇ㏆࡙࠸࡚࠸ࡃࠋ ィ⟬㔞ࡢከ࠸ 10243 ࢢࣜࢵࢻࡣࡶࡕࢁࢇィ⟬㔞ࡢᑡ࡞࠸ 5123 ࢢࣜࢵࢻࡶ 2048 ࣀ࣮ࢻࡲ࡛ࢫࢣ࣮ࣝࡋ࡚࠸ࡿࡀࢃࡿࠋ ᭱ᚋ 20483 ࢢࣜࢵࢻ࠾ࡅࡿయࡢィ⟬㛫ࢆ⾲ 1 ♧ࡍࠋ4096 ࣀ࣮ࢻ ẚ㍑ࡋ࡚ 8192 ࣀ࣮ࢻ࡛ࡣ୪ิຠ⋡ 88%ࢆ♧ࡋ࡚࠸ࡿࠋ⌧Ⅼ࡛ࡣிࢫࣃࢥ ߒٽ๑ʊʧʪ ࣥࡢ㐠⏝ไ㝈ࡼࡾ 16384 ࣀ࣮ࢻࢆヨࡍࡣ࡛ࡁ࡞࠸ࡀࠊ༑ศࢫࢣ࣮ࣝࡍࡿ २Ѣҩ๗ ⪃࠼ࡽࢀࡿࠋࡇࢀࡼࡾ RISM/3D-RISM ࢥ࣮ࢻࡢ㧗ᗘࡣᙜึ┠ᶆࢆ㐩ᡂࡋ Ƹऺʍೝњƹ ࡓ⤖ㄽ࡛ࡁࡿࠋ ᅗ㸯㸸ึᮇ㒊ศࡢ㏿ᗘྥୖ ᅗ㸰㸸⧞ࡾ㏉ࡋ㒊ศࡢ㏿ᗘྥୖ ⾲3ࢢࣜࢵࢻ࠾ࡅࡿィ⟬㛫ࡢࣀ࣮ࢻᩘ౫Ꮡᛶ ࣀ࣮ࢻᩘ ィ⟬㛫>⛊@ RISM/3D-RISM ᮏయࡢ㛤Ⓨࡣࡇࢀ࡛ࡰ⤊࡞ࡿࠋᚋࡣ㸪᪂ࡋ࠸ィ⟬࢜ گܩʍكѾƐୈං ࣉࢩࣙࣥࡢ㏣ຍࡸ㸪㐃ᡂィ⟬ࡢ㧗ᗘࢆࡋࡓ㛤Ⓨࢆ⾜࠺ࠋ 17 添付資料 3 ཎⴭㄽᩥ 1) "Placevent: an algorithm for prediction of explicit solvent atom distribution -- application to HIV-1 protease and F-ATP synthase", Daniel Sindhikara, Norio Yoshida, Fumio Hirata, J. Comput. Chem., 33, (2012) 1536-1543 2) "A new approach for investigating the molecular recognition of protein: Toward structure-based drug-design based on the 3D-RISM theory", Yasuomi Kiyota, Norio Yoshida, Fumio Hirata, J. Chem. Theor. Comput.,, 7, (2011) 3803-3815 3) Reply to Comment "Molecular Selectivity in Aquaporin Channels Studied by the 3D- RISM Theory", Saree Phongphanphanee, Norio Yoshida, Fumio Hirata, J. Phys. Chem. B,, 115, (2011) 8367-8369 4) "Solvent penetration in photoactive yellow protein R52Q mutant: a theoretical study", Daniel Sindhikara, Norio Yoshida, Mikio Kataoka, Fumio Hirata, J. Mol. Liq., , 164, (2011) 120-122 5) “Free energy calculation using molecular dynamics simulation combined with three dimensional reference interaction site model (3D-RISM) theory. II. Thermodynamic integration along reaction coordinates”, Tatsuhiko ഞƐ۾СƐ Miyata, Yasuhiro Ikuta, Fumio Hirata, J. Chem. Phys., 134, 44127 - 44144 ɼʍࡰഐ (2011). 6) “Functionality Mapping on Internal Surfaces of Multidrug Transporter AcrB Based on Molecular Theory of Solvation: Implications for Drug Efflux Pathway,” Takashi Imai, Naoyuki Miyashita, Yuji Sugita, Andriy Kovalenko, Fumio Hirata, Akinori Kidera, J. Phys. Chem. B, 115, 8288 – 8295 (2011). ⥲ㄝࠊゎㄝ 1) "ᾮయࡢ✚ศ᪉⛬ᘧ⌮ㄽ㟁Ꮚ≧ែ⌮ㄽࡢࣁࣈࣜࢵࢻࡼࡿ⁐ᾮෆศᏊࡢ㟁 Ꮚ≧ែ⌮ㄽ", ྜྷ⏣⣖⏕, ࣥࢧࣥࣈࣝ, 14 (2012) 12-18 2) "Statistical Mechanics Theory of Molecular Recognition and Pharmaceutical Design", Norio Yoshida, Yasuomi Kiyota, Saree Phongphanphanee, Yutaka Maruyama, Takashi Imai, Fumio Hirata, International Review in Physical Chemistry, 30 (2011) 445-478 3) "ศᏊㄆ㆑ࡢ⤫ィຊᏛ⏕యᶵ⬟",ྜྷ⏣⣖⏕, ᒣ㇏, Saree Phongphanphanee, Ύ⏣Ὀ⮧, ᖹ⏣ᩥ⏨, ⏕≀≀⌮, 51 (2011),222-225 4) "Molecular Recognition Explored by a Statistical-Mechanics Theory of Liquids", Saree Phongphanphanee, Norio Yoshida, Fumio Hirata, Current Pharmaceutical Design, 17 (2011), 1740-1757 18 添付資料 3 5) "Electrolytes in Biomolecular Systems Studied with the 3D-RISM/RISM Theory", Yutaka Maruyama, Norio Yoshida, Fumio Hirata, Inter disciplinary Sciences: Computational Life Sciences, 4 (2011), 290-307 ᣍᚅㅮ₇㸦ᅜෆ㆟㸧 1) 㓝⣲ᛂゎᯒྥࡅࡓࠊ㸱D-RISM ⌮ㄽࡼࡿศᏊㄆ㆑ゎᯒ,"ᩥ㒊⛉Ꮫ┬ࠕ㠉 ᪂ⓗࣁࣃࣇ࢛࣮࣐ࣥࢫ࣭ࢥࣥࣆ࣮ࣗࢸࣥࢢ࣭ࣥࣇࣛ㸦HPCI)ࡢᵓ⠏ࠖ, ḟ ୡ௦ࢼࣀ⤫ྜࢩ࣑࣮ࣗࣞࢩࣙࣥࢯࣇࢺ࢙࢘ࡢ◊✲㛤Ⓨ, ➨ 6 ᅇබ㛤ࢩ࣏ࣥࢪ ࣒࢘", 2012 ᖺ 3 ᭶ 5 ᪥ࠥ6 ᪥(ணᐃ), ࢽࢳᏛ㤋, ⚄ᡞᕷ, ྜྷ⏣⣖⏕ 2) ࣂ࣐࢜ࢫ⏝ྥࡅࡓ㓝⣲ᛂゎᯒ, CMSI ◊✲, 2012 ᖺ 1 ᭶ 30 ᪥ࠥ31 ᪥(ணᐃ), ᮾᏛ㔠ᒓᮦᩱ◊✲ᡤࠊྎᕷ, ྜྷ⏣⣖⏕ 3) RISM ⌮ㄽࡼࡿ⏕యศᏊࡢศᏊㄆ㆑Ꮫᛂྥࡅࡓ◊✲, ࢫ࣮ࣃ࣮ࢥࣥ ࣆ࣮ࣗࢱ࣮࣡ࢡࢩࣙࢵࣉ㸰㸮㸯㸰, 2012 ᖺ 1 ᭶ 24ࠥ25 ᪥(ணᐃ㸧, ᒸᓮࢥࣥࣇ ࣞࣥࢫࢭࣥࢱ࣮ࠊᒸᓮᕷ, ྜྷ⏣⣖⏕ 4) ᾮయࡢ✚ศ᪉⛬ᘧ⌮ㄽᇶ࡙ࡃ⁐ᾮෆ⏕యศᏊࡢ㟁Ꮚ≧ែ⌮ㄽ, ᾮయ࣭⁐ᾮࡢ ᚤどⓗᵓ㐀ࡽࢲࢼ࣑ࢡࢫࡲ࡛ࠥ᭱㏆ࡢ◊✲⤖ᯝࡽぢ࠼࡚ࡃࡿࡶࡢࠥ, 2011 ᖺ 11 ᭶ 28ࠥ29 ᪥, ឡᏛࠊᯇᒣᕷ, ྜྷ⏣⣖⏕ 5) ᾮయࡢ✚ศ᪉⛬ᘧ⌮ㄽࢆ⏝࠸ࡓ⁐ᾮෆᏛ㐣⛬㛵ࡍࡿ◊✲, ➨ 34 ᅇ⁐ᾮ Ꮫࢩ࣏ࣥࢪ࣒࢘, 2011 ᖺ 11 ᭶ 15ࠥ17 ᪥, ྡྂᒇᏛ, ྡྂᒇᕷ, ྜྷ⏣⣖⏕ 6) QM/MM/3D-RISM ⌮ㄽࡢ㛤Ⓨࣉࣟࢢ࣒ࣛࡢ㧗㏿, ➨ 3 ᅇ HPCI ᡓ␎ࣉࣟ ࢢ࣒ࣛྜྠ◊✲ὶ, 2011 ᖺ 10 ᭶ 3 ᪥, ィ⟬⛉Ꮫ◊✲ᶵᵓ, ⚄ᡞᕷ, ྜྷ⏣⣖ ⏕ 7) Yutaka Maruyama, “Accelerating 3D-RISM calculation: Graphics Processing Unit and Massive Parallel Machine”, (Elemental Processes of Life Phenomena, revealed by the RISM/3D-RISM Theory, 2011 ᖺ 3 ᭶, Okazaki, Japan) 8) ᒣ㇏, “ᾮయࡢ✚ศ᪉⛬ᘧ⌮ㄽ(3D-RISM ⌮ㄽ)ࡢゎἲ GPU ࡼࡿ㧗㏿”, (ᛂ⏝ᩘ⌮Ꮫᖺࠊ2011 ᖺ 9 ᭶ࠊி㒔ࠊ᪥ᮏ) 9) ᒣ㇏, “GPU ࡼࡿ 3D-RISM ࡢ㧗㏿ MD-3DRISM ࡢᛂ⏝”, (◊✲ ᾮ య࣭⁐ᾮࡢᚤどⓗᵓ㐀ࡽࢲࢼ࣑ࢡࢫࡲ࡛ ~᭱㏆ࡢ◊✲⤖ᯝࡽぢ࠼࡚ࡃࡿ ࡶࡢ~ࠊ2011 ᖺ 11 ᭶ࠊᯇᒣࠊ᪥ᮏ) 10) ᖹ⏣ᩥ⏨ࠊ ࠕ㧗㏿ 3D-RISM ࡢ㛤Ⓨࡘ࠸࡚ࠖࠊ ࠕCMSI࣭ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬࠊ ➨㸰ᅇ◊✲ࠖ ࠊ⚄ᡞࠊ2011 ᖺ 8 ᭶ 11ࠊ23 ᪥ 11) ᖹ ⏣ ᩥ ⏨ ࠊ “Exploring life phenomena with a Statistical Mechanics of Molecular Solution,” ࠕᾮయ⁐ᾮࡢᚤどⓗᵓ㐀ࡽࢲࢼ࣑ࢡࢫࡲ࡛ࠥ᭱㏆ࡢ ◊✲⤖ᯝࡽぢ࠼࡚ࡃࡿࡶࡢࠥࠖឡࠊ2011 ᖺ 11 ᭶ 28, 29 ᪥ ᣍᚅㅮ₇㸦ᅜ㝿㆟㸧 19 添付資料 3 1) 1) Norio Yoshida, "Development of the QM/MM/RISM theory: Application to the intercalation of proflavine with solvated DNA", Statistical Mechanics Approaches to Nano/Bio-Sciences, 2011 ᖺ 6 ᭶ 13 ᪥ࠥ15 ᪥, "Sookmyung Women's University, Seoul, Korea 2) Yutaka Maruyama, “Solvent and Salt Effects on Structural Stability of Human Telomere”, (Korea-Japan Symposium on Statistical Mechanics Approaches to Nano/Bio-Sciences, 2011 ᖺ 6 ᭶, Seoul, Korea) 3) Saree Phongphanphanee, “inding of small alkali ions and TEA+ to KcsA potassium channel study by 3D-RISM” Statistical Mechanics Approaches to Nano/Bio-Sciences, Centenial Hall, Sookmyung Womens' University, Seoul, Korea, June 13-15, 2011, 4) D.J. Sindhikara, Norio Yoshida, Mikio Kataoka, and Fumio Hirata, "Solvent penetration in photoactive yellow protein: a theoretical study." (June 2011), Korea-Japan Symposium on Statistical Mechanics Approaches to Nano/Bio-Sciences, Seoul, Korea 5) Fumio Hirata, “Theory of Molecular Recognition and its Application to Drug Design,” “ICCS2011,” Singapore, June 1 ~ 3, 2011. 6) Fumio Hirata, “Exploring life phenomena with a theory featuring chemical ‘specificity’ and physical ‘universality’,” ”Statistical Mechanics Approaches to Biomolecular Applications,” Seoul, June 13 ~ June 16, “2011. 7) Fumio Hirata, “Collaboration between computer and computational scientists make high performance computing on the K-computer a reality,” “ISC’11 HPC in Asia Workshop,” Hamburg, Germany, June 18~23, 2011 8) Fumio Hirata, “Statistical Mechanics Theory of Molecular Recognition and its Application to Pharmaceutical Design,” “Telluride Wrokshop on Free Energy Simulation,” Telluride, Colorado, USA, July 3 ~ 8, 2011. 9) Fumio Hirata, “Exploring life phenomena with a Statistical Mechanics of Molecular Solution,” “32th International Conference on Solution Chemistry,” La Grande Motte, France, August 28~ September 2, 2011. 10) Fumio Hirata, “Exploring life phenomena with a theory featuring chemical ‘specificity’ and physical ‘universality’,” “Israel -Japan Joint Symposium on Biophysics: Protein Dynamics: From single molecules to whole cell” in Biophysics Society meeting in Japan, Himeji, Sep. 15 ~ 16. 11) Fumio Hirata, “Exploring life phenomena with a Statistical Mechanics of Molecular Solution,” “The 71st Okazaki International Conference: New perspectives on molecular science of glycoconjugate,” Okazaki, October 12~14, 2011. 12) Fumio Hirata, “Exploring life phenomena with a Statistical Mechanics of 20 添付資料 3 Molecular Solution,”, Asian Core symposium on “The 4th Japan-Korea Seminar on Biomolecular Sciences: Experiment and Simulation,” Nara, January 9~11, 2012. 21 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 䕿Ọ℩ⱱ 㻝䚸▼ᮧஓ 㻞䚸Ἑᮾ⏣㐨ኵ 㻟䚸䕿ᾆኵ 㻠䚸㻰㼙㼕㼠㼞㼕㻌 㻳㻚㻌 㻲㼑㼐㼛㼞㼛㼢㻡䚸▼⏣㇏ 㻡䚸༓ⴥ┿ே 㻡䚸Ọ⏣Ṋྐ 㻠䚸ᱵ⏣ᏹ᫂ 㻢 ᡤᒓ䠄ဨศ䠅 1 ி㒔Ꮫ䚸2 ศᏊ⛉Ꮫ◊✲ᡤ䚸3 ⌮Ꮫ◊✲ᡤ䚸4 ⚄ᡞᏛ䚸5 ⏘ᴗᢏ ⾡⥲ྜ◊✲ᡤ䚸6 ⟃ἼᏛ 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected]䠄Ọ℩䠅䚸[email protected]䠄ᾆ) ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 24 ᖺ 4 ᭶ 1 ᪥ 䡚 ᖹᡂ 24 ᖺ 7 ᭶ 31 ᪥ 22 添付資料 3 ʴ˩˼˃ƪˉ˹̅ ࠄݣʊ๑ɶɾ ˠƪ˛՜ 03)02 ࢼࣀࢧ࢚ࣥࢫࠊࢼࣀࢸࢡࣀࣟࢪ࣮ࡢ◊✲ࢆ᥎㐍ࡍࡿୖ࡛ࠊࢼࣀࢧࢬ≀ ㉁ࡢᵓ㐀࣭ᶵ⬟ࢆゎ࣭᫂ண ࡍࡿࡓࡵࡢᇶ┙ⓗࢶ࣮ࣝࡋ࡚ࠊィ⟬ࢩ࣑ࣗࣞ ࣮ࢩࣙࣥࡁ࡞ᮇᚅࡀᐤࡏࡽࢀ࡚࠸ࡿࠋࡲࡓࠊ⸆◊✲࠾࠸࡚ࡣࢱࣥࣃ ࢡ㉁་⸆ೃ⿵ศᏊࡢ」ྜయᵓ㐀⤖ྜ࢚ࢿࣝࢠ࣮ࢆ㧗࠸⢭ᗘ࡛ィ⟬ண తضƐ ࡛ࡁࢀࡤ◊✲ࡢຠ⋡㈨ࡍࡿᮇᚅࡉࢀ࡚࠸ࡿࠋࡇࢀࡽ⟅࠼ࡿࡓࡵ ᚲせ࡞せ⣲ࡢࡦࡘࠊつᶍศᏊ⣔ࡢ㔞ᏊᏛィ⟬ἲࡢ㛤Ⓨࡀ࠶ࡿࠋᡃࠎ ࡣࠊࣇࣛࢢ࣓ࣥࢺศᏊ㌶㐨ἲ(FMO ἲ)ࢆ㛤Ⓨࡋࠊࡇࢀࡼࡾ ཎᏊつᶍ ࡽ࡞ࡿᕧศᏊ⣔ࡢ㟁Ꮚ≧ែィ⟬ࢆᐇ⏝ⓗ࡞ィ⟬㛫࡛ྍ⬟ࡍࡿࡇ ࢆ┠ᶆࠊຠ⋡ⓗ࡞㉸୪ิィ⟬ࣉࣟࢢ࣒ࣛࡢ㛤Ⓨࢆ⾜࡞ࡗ࡚࠸ࡿ )02 ἲࡣࠊศᏊ࣭ศᏊ⣔ࢆᑠࡉ࡞ࣇࣛࢢ࣓ࣥࢺศࡋ࡚ࠊࣇࣛࢢ࣓ࣥࢺ㸦ࣔ ࣀ࣐࣮ࡪ㸧ࡑࢀࡽࡢ࣌㸦ࢲ࣐࣮ࡪ㸧ࡘ࠸࡚ DELQLWLR02 ィ⟬ ࢆ⾜࠸ࠊ⣔ࡢ࢚ࢿࣝࢠ࣮ࡸ㟁Ꮚศᕸ࡞ࡢࣉࣟࣃࢸࢆィ⟬ࡍࡿ᪉ἲ࡛࠶ࡿࠋ ࣔࣀ࣐࣮ࡸࢲ࣐࣮ࡣࡰ⊂❧ィ⟬࡛ࡁࡿࡓࡵ୪ิィ⟬㐺ࡋ࡚࠸ࡿࠋ㟁Ꮚ ┦㛵⌮ㄽࡶ㐺⏝ྍ⬟࡛ࠊᕧศᏊ࣭ศᏊ⣔ࡢᐇ⏝ⓗィ⟬ࣞ࣋ࣝࡋ࡚ࡣ᭱ࡶ ⡆౽࡞㟁Ꮚ┦㛵⌮ㄽ࡛࠶ࡿ 03 ࣞ࣋ࣝࢆᐃࡋࠊ㧗㏿ 03 ィ⟬ἲ࡛࠶ࡿ 5,03 ࡢࢥ࣮ࢻࢆ㛤Ⓨࡋ )02 ィ⟬࡛⏝ྍ⬟ࡋࡓࠋ)02 ィ⟬ࢥ࣮ࢻࡣࠊ࢜࣡ᕞ ❧࡛㛤Ⓨࡉࢀୡ⏺୰࡛ᗈࡃ⏝࠸ࡽࢀ࡚࠸ࡿ DELQLWLR02 ィ⟬ࣉࣟࢢ࣒࡛ࣛ࠶ ࡿ *$0(66㸦KWWSZZZPVJ DPHVODEJRYJDPHVV㸧⤌ࡳ㎸ࢇ࡛බ㛤ࡋ࡚࠸ ࡿࠋ ࠬޟكƐ ʉ๑ൣ Ƹऺʍೝњƹ )02 ィ⟬ࡣከᩘࡢᑠࡉ࡞ศᏊ㸦ࣔࣀ࣐࣮ࢲ࣐࣮㸧ࡘ࠸࡚ࠊDELQLWLR02 ィ⟬ࢆ⾜࠺ࡇࡰ┦ᙜࡍࡿࠋࣇࣛࢢ࣓ࣥࢺศࡣᏛⓗጇᙜᛶᇶ࡙࠸࡚ ⾜ࢃࡡࡤ࡞ࡽ࡞࠸ࡓࡵࠊࡑࢀࡽࡢࢧࢬ㸦ᇶᗏ㛵ᩘࡢᩘ㸧ࢆྠ୍ࡍࡿࡇ ࡣ࡛ࡁ࡞࠸ࠋࡉࡽࠊࡓ࠼ࢧࢬࡀྠࡌ࡛࠶ࡗ࡚ࡶࠊDELQLWLR02 ィ⟬࡛ࡣ ศᏊࡈィ⟬ࡉࢀࡿ 㟁Ꮚ✚ศࡢᩘࡀ␗࡞ࡾࠊࡑࡢୖゎࡀồࡲࡿࡲ࡛ࡢ⧞ࡾ ㏉ࡋ㸦6&)㸧ィ⟬ᅇᩘࢆ๓▱ࡿࡇࡀ࡛ࡁ࡞࠸ࡓࡵࠊ୪ิィ⟬࡛࣮ࣟࢻࣂࣛ ࣥࢫࢆࡿࡢࡀ㠀ᖖᅔ㞴࡛࠶ࡿࠋ )02 ィ⟬ࣉࣟࢢ࣒ࣛࡣࠊᅗ㸯♧ࡍ 'LVWULEXWHGGDWDLQWHUIDFH'',ࢆᣑ ᙇࡋࡓ *HQHUDOL]HG'',㸦*'',㸧࡛ 㝵ᒙ࡛ࡢ୪ิィ⟬ࢆ⾜࡞ࡗ࡚࠸ࡿࠋிࢥ ࣥࣆ࣮ࣗࢱ࡛ࡣࠊ$50&,'',㸩2SHQ03 ࡢࣁࣈࣜࢵࢻ୪ิࢆ⏝࠸࡚࠸ࡿࠋ)02 ィ⟬ࡢὶࢀࡣᅗ ♧ࡍࡼ࠺ࠊྛィ⟬ࢫࢸࢵࣉ࡛」ᩘᅇࡢྠᮇࡀධࡿࠋࣇࣛ ࢢ࣓ࣥࢺࡢᩘࡀ &38 ࢢ࣮ࣝࣉᩘẚ࡚ᅽಽⓗከᩘࡢሙྜࡣࠊᅗ ♧ࡍື ⓗศᩓฎ⌮࡛ຠ⋡ࡼࡃィ⟬ࢆ⾜࠺ࡇࡀ࡛ࡁࡿࡀࠊ㏫ࡢሙྜ㸦⭾࡞ &38 ࢥ ࢆᣢࡘࢥࣥࣆ࣮ࣗࢱࡢሙྜ㸧ࡣ࣮ࣟࢻࣥࣂࣛࣥࢫࡼࡿྠᮇᚅࡕࡀ῝้࡞ᐇ 23 添付資料 3 ⾜ᛶ⬟ࡢపୗࢆࡶࡓࡽࡍࠋிࢥࣥࣆ࣮ࣗࢱ࡛ࣀ࣮ࢻᩘࢆᣑࡍࡿࡘࢀ࡚ࡇࡢ ၥ㢟ࡀ㢧ᅾࡋࡓࡓࡵࠊ&38 ࢢ࣮ࣝࣉࡢᩘࢆῶࡽࡍ㸦୍ࡘࡢࢢ࣮ࣝࣉ࡛ࡁࡿ ࡔࡅከᩘࡢ &38 ࢥࢆࡾᙜ࡚ࡿ㸧ᑐᛂࢆ⾜ࡗࡓࠋࡍ࡞ࢃࡕࠊࢢ࣮ࣝࣉෆࡢ୪ ิᗘࡀࡁࡃ࡞ࡿࡓࡓࡵࠊྍ⬟࡞㝈ࡾࢫࣞࢵࢻ୪ิࢆ⾜࡞࠸୪ิィ⟬ᛶ⬟ࡢ ྥୖࢆᅗࡗࡓࠋ ௨ୗ࡛♧ࡍᛶ⬟ ᐃ⏝࠸ࡓࢸࢫࢺ⣔ࡣ⣙ 24,000 ཎᏊࡽ࡞ࡿࢱࣥࣃࢡ㉁ 」ྜయ࡛ࠊ㔞ᏊᏛィ⟬ࡢࣞ࣋ࣝࡣ FMO-RI-MP2/6-31G*࡛࠶ࡿࠋ 㛤Ⓨ≧ἣ㸸୪ิຠ⋡㸦ࢫࢺࣟࣥࢢࢫࢣ࣮ࣜࣥࢢ㸧ࡣࠊ768 ࣀ࣮ࢻࢆᇶ‽ ҟౙׅࣳƸઅ१ఉƐ ന໑୩Ɛࠄۼ१ఉஉʱ கʝɧɾ२ׅࣳƐڇ ࣳʍฆஉʱଜສ ʊ՝ݢђɴɣƑ ƹ Ƹऺʍೝњƹ ࡋࡓ 1,536 ࣀ࣮ࢻ࡛ 98%ࠊ3,840 ࣀ࣮ࢻࢆᇶ‽ࡋࡓ 12,288 ࣀ࣮ࢻ࡛ࡣ 93% ࡛࠶ࡿࠋᐇ⾜ᛶ⬟㸦FLOPS ್㸧ࡣࠊ6,144 ࣀ࣮ࢻ࡛ࡣࣆ࣮ࢡᛶ⬟ẚ࡛ 4.40%ࠊ 12,288 ࣀ࣮ࢻ࡛ 4.40%ࠊ24,576 ࡢࣀ࣮ࢻ࡛ 3.66%࡛࠶ࡗࡓࠋ ⌧ᅾࡢၥ㢟Ⅼ㸸FMO ィ⟬࡛ࡣࠊ⣔ࡀᕧ࡞ࡿ㟼㟁࣏ࢸࣥࢩࣕࣝィ⟬ ࡢ㈇Ⲵࡀࡁࡃ࡞ࡾࠊᐇ⾜ᛶ⬟ࡢపୗࡀ㢧ᅾࡋࡓࠋࡑࡇ࡛ᑐ⟇ࡋ࡚ࠊ࣐ࣝ ࢳࢥィ⟬ᶵ㐺ࡋࡓࣝࢦࣜࢬ࣒ࢆ⏝࠸ࡓ(ᰴ㸧ࢡࣟࢫࣅࣜࢸᥦ౪ࡢ㟼㟁 ࣏ࢸࣥࢩࣕࣝィ⟬࣮ࣝࢳࣥࢆ⤌ࡳ㎸ࢇ࡛ᛶ⬟ࡢᨵၿࢆᅗࡗࡓࠋࡇࢀࡼࡾࠊୖ グࡢᐇ⾜ᛶ⬟ࢆ㐩ᡂࡋࡓࠋ12,288 ࣀ࣮ࢻࡽ 24,576 ࣀ࣮ࢻᣑࡋࡓ㝿ࡢᐇ ⾜ᛶ⬟ࡢపୗ㸦4.40%->3.66%㸧ࡣࠊ࣮ࣟࢻࣥࣂࣛࣥࢫ㉳ᅉࡍࡿࡶࡢ࡛ࠊ ᚋࡇࡢၥ㢟ࡢᨵၿࢆ⾜࠺ᚲせࡀ࠶ࡿࠋ ⟃ἼᏛࡢ T2K ࢥࣥࣆ࣮ࣗࢱୖ࡛ࢳ࣮ࣗࢽࣥࢢ῭ࡢࢥ࣮ࢻࢆிࢥࣥࣆ࣮ࣗ ࢱ⛣᳜ࡋࡓᙜึ㸦⏝ᮇ㛫ϩ㸧ࡢࠊ1,791 ཎᏊ⣔ࡢ FMO-MP2/6-31G*ィ⟬ࡢ ߒٽ๑ʊʧʪ ィ⟬㛫㸦⤒㐣㛫㸧ࡣ 740 ⛊࡛࠶ࡗࡓࡀࠊ⏝ᮇ㛫ϫ-2 ࡛ࡣࡇࢀࡀ 404 ⛊ २Ѣҩ๗ ࡞ࡾࠊ1.83 ಸࡢ㧗㏿ࢆ㐩ᡂࡋࡓ㸦768 ࣀ࣮ࢻ࡛ࡢࢹ࣮ࢱ㸧 ࠋ⾜࡞ࡗࡓࢳ Ƹऺʍೝњƹ ࣮ࣗࢽࣥࢢࡣࠊᑐゅ࣮ࣝࢳࣥࡢᨵⰋࠊARMCI ࢧ࣮ࣂ࣮ࢫࣞࢵࢻࡢࢥࣂ ࣥࢻࡢㄪᩚࠊDLB ㏻ಙࡢࣟࢵࢡ⠊ᅖࢆ⊃࠸⠊ᅖ㝈ᐃࡍࡿࠊ㢖⦾࡞࣓ࣔࣜ☜ ಖ࣭㛤ᨺࢆᢚṆࡍࡿࠊไᚚྍ⬟࡞⠊ᅖ࡛ I/O ࡢࣈࣞࢆᢚṆࡍࡿࠊ࡞࡛࠶ࡿࠋ FMO ィ⟬ࡢࢥ࣮ࢻࡢ୍㒊ࢡࣟࢫࣅࣜࢸ♫ࡢࢥ࣮ࢻࢆᑟධࡋ࡚ᛶ⬟ྥ ୖࢆᅗࡗࡓࡀࠊࡇࡢࢥ࣮ࢻࡣ୪ิᛶ⬟ࢆྥୖࡉࡏࡿవᆅࡀ࠶ࡿࡇࡀุ᫂ࡋࠊ ⌧ᅾࡇࡢᨵⰋྲྀࡾ⤌ࢇ࡛࠸ࡿࠋࡲࡓࠊFMO ィ⟬ࡣ CPU ࡢࢢ࣮ࣝࣆࣥࢢࡀ㐺 گܩʍكѾƐୈං ษ࡛࡞࠸ࠊ⏝࠸ࡿ CPU ࢥᩘࡀᩘ௨ୖ࡞ࡿ࣮ࣟࢻࣥࣂࣛࣥࢫࡀ㢧 ⴭ࡞ࡾᛶ⬟పୗ࡞ࡿࡇࡽࠊ๓ᑐ㇟⣔ࡈ᭱㐺࡞ CPU ࢢ࣮ࣝࣆ ࣥࢢࢆぢฟࡍ᪉⟇ࢆ᳨ウࡋ࡚࠸ࡿࠋᚋࠊࡇࢀࡽࡘ࠸࡚ᨵၿࢆ⾜࠺ࡇ࡛ࠊ ிࢥࣥࣆ࣮ࣗࢱࡢࣀ࣮ࢻ(80,000 CPU ࢥ)ࢆ⏝࠸࡚ࠊ10 ཎᏊ⣔ࡢ RI-MP2-FMO/6-31G*ィ⟬ࢆ 2 㛫⛬ᗘ࡛⾜࠺ࡇࡀྍ⬟࡞ࡿぢ㎸ࡳ࡛࠶ࡿ ӌࡱߓތ ഞƐ۾СƐ ɼʍࡰഐ ࡞ࡋ ㅮ₇ 1) Dmitri G. Fedorov, "The fragment molecular orbital method as a tool for chemical applications on petascale computers", ACS national meeting, 2011ᖺ8᭶, Denver 24 添付資料 3 2) Dmitri G. Fedorov, "Recent development of the fragment molecular orbital method",The Seventh Congress of the International Society for Theoretical Chemical Physics (ISTCP-7), 2011ᖺ9᭶, ᮾி㒔 3) Dmitri G. Fedorov, ࠕ㔞ᏊᏛᇶ࡙࠸ࡓཎᏊつᶍࡢᵓ㐀᭱㐺┦స ⏝ゎᯒࠖࠊศᏊ⛉Ꮫウㄽࠊ2011ᖺ9᭶ࠊᮐᖠᕷ 4) Kazuo Kitaura, "Large Scale Computations with the Fragment Molecular Orbital Method", Fukui International Sympojium for Theoretical and Computational Chemistry, 2011 ᖺ 9 ᭶, Kyoto㻌 㻌 ࠊࢼࣀ࣭ 5) ᾆኵࠊࠕࣇࣛࢢ࣓ࣥࢺศᏊ㌶㐨ἲࢻࣛࢵࢢࢹࢨࣥࡢᛂ⏝ࠖ ࣛࣇྜྠබ㛤ࢩ࣏ࣥࢪ࣒࢘ࠊ2012 ᖺ 3 ᭶ࠊ⚄ᡞ ࡑࡢࡢฟ∧≀ ʉɶ 25 添付資料 3 ᅗ㸯 DDI(distributed data interface)ࡑࢀࢆᣑᙇࡋࡓ 2 㝵ᒙ୪ิ㸦GDDI;generalized DDI, D. G. Fedorov et al., J. Comp. Chem. 25, 872 (2004))ࠋ▴ᙧࡣࣀ࣮ࢻࢆ♧ࡋࠊ࣐ࢫࢱ ࣮ࢫ࣮ࣞࣈࡣ▴ᙧୗ⾲♧ࡋ࡚࠶ࡿࠋGDDI ࡛ࡣࣀ࣮ࢻࢆ Ngr ಶࡢࢢ࣮ࣝࣉศࡅࠊྛ ࢢ࣮ࣝࣉࡀ୍ࡘࡢ ab initio MO ィ⟬ࢆᐇ⾜ࡍࡿࠋ 26 添付資料 3 ᅗ 2 FMO ィ⟬ࡢ 2 㝵ᒙ୪ิィ⟬ࡢὶࢀᅗࠋ'init'ࡣィ⟬ࡢ㛤ጞࢆ♧ࡍࠋグྕ YLBn ࡣࠊY ࢫࢸࢵࣉ㸦Y=I ࡣࣔࣀ࣐࣮ࡢึᮇ MO ィ⟬ࢫࢸࢵࣉࠊY=M ࡣࣔࣀ࣐࣮SCF ィ⟬ࢫࢸࢵࣉࠊ Y=D ࡣࢲ࣐࣮ィ⟬ࢫࢸࢵࣉ㸧ࡢࠊn 㝵ᒙ㸦n㸻㸯ࡣࢢ࣮ࣝࣉෆࠊn㸻2 ࡣࢢ࣮ࣝࣉ㛫㸧ࡢࣟ ࣮ࢻࣂࣛࣥࢫ㸦LB㸧ࢆ♧ࡍࠋn㸻2 ࡛ࡣ I ࢫࢸࢵࣉࢆ㝖ࡃ࡚ࡢࢫࢸࢵࣉ࡛ SCF ࡢ⧞ࡾ㏉ࡋ ィ⟬ࢆྵࡴࡀࠊᅗ࡛ࡣ┬␎ࡋ࡚࠶ࡿࠋ'W'ࡣ㸯ࣀ࣮ࢻࡢఱࡢ work㸦2 㟁Ꮚ✚ศࡢ୍㒊ࡢィ ⟬࡞㸧ࢆ♧ࡍࠋYXn ࡣࠊY ࢫࢸࢵࣉ࠾ࡅࡿ n 㝵ᒙ࡛ࡢࢹ࣮ࢱࢆ♧ࡍࠋ'conv'ࡣࣔࣀ ࣐࣮SCF ࡢ᮰ุᐃࢆࠊ'prop'ࡣࣉࣟࣃࢸィ⟬ࢆ♧ࡍࠋ⏝ࣀ࣮ࢻࡢࢢ࣮ࣝࣉࡢศ ࡣࠊྛࢫࢸࢵࣉࡈධຊࢹ࣮ࢱ࡛⮬⏤ᣦᐃ࡛ࡁࡿࠋ 27 添付資料 3 ィ⟬㛫 (1) ㏲ḟฎ⌮ (2) 㟼ⓗศᩓฎ⌮ (3) ືⓗศᩓฎ⌮ ᅗ 3 FMO ィ⟬࡛ࢧ࣏࣮ࢺࡋ࡚࠸ࡿศᩓฎ⌮᪉ἲ㸦㏲ḟฎ⌮ࠊ㟼ⓗศᩓฎ⌮ ືⓗศᩓฎ⌮㸧ࡢᶍᘧᅗࠋ7 ಶࡢࢪࣙࣈࢆ 2 ࢢ࣮ࣝࣉ࡛୪ิฎ⌮ࡍࡿ࡛ࠊ␒ྕ ࡢ▴ᙧࡢᶓ୍㎶ࡢ㛗ࡉ࡛ࡑࢀࡒࢀࡢࢪࣙࣈࡢィ⟬㛫ࢆ♧ࡍࠋ㟼ⓗศᩓฎ⌮ ࡛ࡣࢪࣙࣈࡢᐇ⾜ࡢ㡰␒ࡀᅛᐃࡉࢀ࡚࠸ࡿࠋືⓗศᩓฎ⌮࡛ࡣࠊࡁ࡞ࣇࣛࢢ ࣓ࣥࢺࡢィ⟬ࡀඃඛⓗฎ⌮ࡉࢀࡿࠋ 28 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 䕿୰ᾈᕭ䚸ᑠᯘṇே䚸す⃝ᏹ䚸䜲䝺䞉䝇䝔䝣䜯䞁䚸ᶓᕝ㍜䚸㻌 すᮏెኸ ᡤᒓ䠄ဨศ䠅 ᪩✄⏣Ꮫ䚸ྡྂᒇᏛ 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected] ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 23 ᖺ 8 ᭶ 11 ᪥ 䡚 ᖹᡂ 24 ᖺ 9 ᭶ 14 ᪥䠄ヨ㦂⏝᭱⤊ ᪥䠅 29 添付資料 3 ʴ˩˼˃ƪˉ˹̅ '& ສѓӌ&' ˲˻˂˿˩ޟك03ƒ'&')7% ࠄݣʊ๑ɶɾ ˠƪ˛ '&03ƒ ˠƪ˛ '&')7% ˠƪ˛՜ ɲʫʝʆʊѓӌʊʧʂʅɴʝɵʝʉѓӌ౩жɫ҈ɴʫƒɼʫʊՂʄɣʅ ঙكɫۼʮʫʅɬɾɫƒ˜ˠˋ˃ƪ˽ʍ౩жػʱॴʊ҈উɶƒɼʍॣڰʱۼ ɥɲʇʎݥڇʊɩɣʅʡๆαʆʎʉɣƑචٰ֖ʆʎ '& ˩˿˂˻˲ʱ๑ɣʅ˜ తضƐ ˠˋ˃ƪ˽ʍഒʣഒࡘʉʈʍ֠ػʍ౩жॣڰʱ˩˿˚ˑʶ˩ٰ֖ʇ ɶƒɴʝɵʝʉӅ୩ɪʨ٫ஒʱۼɥɲʇʱʇɸʪƑແɧʏƒ˜ˠഒʍഒ ۥਚʣ୕ۥਚʱʨɪʊɶƒ౩ж१ʣഐ१ʍઢٵʱமʪƑɴʨʊɼʍॲ२ ˩˿ˍˋʱ҈ɸʪƑ '& ˩˿˂˻˲ʎ ୕ਂԪʱ๑ɣɾॴ܊୩ʉ҈উƒ ୕୩ֽਡ ేʱ๑ɣɾഒஞອӌޟكʊʧʪ౩ж҈উʍ ʃʍ߶ʊʧʩेۼɴʫʅɣ ʪƑ ୕ਂԪʱ๑ɣɾॴ܊୩ʉ҈উ ڀʊݥחɶɾ *DXVV ثՂଞԪॐʱ๑ɣɾ +DUWUHH)RFN+)ƒ ࠬޟكƐ 0ÃOOHU3OHVVHW ߣগஞƸ03ƹƒٗˁ˻ˋˑƪƸ&&ƹ ƒɩʧʒ୩Ԫॐ ʉ๑ൣ ')7ƹޟكʱƒഒӘߥƸ'&ƹʊՂʄɣʅ 21ʆࠄۼɸʪƑ Ƹऺʍೝњƹ ୕୩ֽਡేʱ๑ɣɾ౩ж҈উ ୕୩ֽਡేƸ')7%ƹʊ '& ʱ଼๑ɶɾ '&')7% ʍҟౙʱۼɣƒ +\EULG ന໑ѓʱۼʂɾƑ'& ʆʎഒৌʱɣɮʃɪʍഒػʊഒɰʅޟك ʱۼɥƑɼʫɽʫʍഒػʍޟكʎஶງʆɡʪɾʠƒɲʍޟكʱ 03, ʊʧʩന ໑ѓɶƒഒػௐʱ 2SHQ03 ʊʧʩˋ˾˕˛ന໑ѓɶɾƑ ୕ਂԪʱ๑ɣɾॴ܊୩ʉ҈উ &+ ഒʊɩɰʪ '&03 ʍˋ˚˿̅˂ˋ˃ƪ˼̅˂१ఉʱ ʊߪɶ ɾƑ ҟౙׅࣳƸઅ१ఉƐ '&03 ʍˋ˚˿̅˂ˋ˃ƪ˼̅˂१ఉ &+'&03* ന໑୩Ɛࠄۼ१ఉஉʱ கʝɧɾ२ׅࣳƐڇ ࣳʍฆஉʱଜສ ʊ՝ݢђɴɣƑ ƹ Ƹऺʍೝњƹ ˠƪ˛ʆʎˋ˚˿̅˂ˋ˃ƪ˼̅˂ɫ ʇ܊ɣന໑ѓۄຆʱ२ɶʅ ɣʪƑˠƪ˛ʆʍ१ఉ໒ѓʎƒޟك՜ɫࢬɴɣɲʇʊำɸʪ˿ƪ˛ʶ̅ 30 添付資料 3 ˢ˻̅ˋʊʧʪʡʍʆƒػʱɬɮɸʪɲʇʆҔɫܦٵʝʫʪƑ˦ƪˁˣ˧ ʻƪ˰̅ˋʊɸʪ१ఉʎ ପ୩ɶɪࡰʅɣʉɣɫƒஆࢉʍ ɪʨɪʉʩ ҔɶɾƑສѠӌޟكʊறอʍறʉঋഒ˽ޟكƪ˓̅ɫ˟˕ˁʆɡʩƒ˛ ˻ˋ˘ʵ˕ˁʉ१ఉҔʎɶɣƑ ୕୩ֽਡేʱ๑ɣɾ౩ж҈উ &+ ഒʊɸʪҺࠬޟكɬʊɩɰʪˋ˚˿̅˂ˋ˃ƪ˼̅˂ʱऺ ʊߪɶɾƑഒػʱ &+ ʇɶʅɩʩƒ ڎʍഒػʱˠƪ˛Ԩʆന໑ك ޟɶʅɣʪƑ ˠƪ˛ʍ࣪ʆʡۼ໑๗য়ʍك ޟƒഒஞອӌޟكʊ๗ʉʺ˟˽ˀ ƪۅధޟكʎന໑ѓۄຆ ǡΤࣣʱ २ɶʅɣʪƑɶɪɶƒ'& ޟكʍࠬ ɬʆɡʪk)HUPL 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ٚƒഇт ࢬັ९ऩƔπۨƒ DŽഒӘߥ'&ສѓӌ ˲˻˂˿˩ޟكҟౙʇж๑Ɛ ɼɶʅୈංDžƐ˂˻̅˛˓˵˾̅ˊƔʴ˩˼˃ƪˉ˹̅ʍٰ֖ҟౙ ۂҟˉ ̅˯ˊʸ˲ƒ ٚƒजڗ ഞƐ۾СƐ ࢬັ९ऩƒ DŽഒӘߥ'&ʊՂʄɮ՜ສѓӌ˲˻˂˿˩ޟكʍҟౙ ɼʍࡰഐ ʇdž֮LJʆʍࠄDž ƒਫ਼ ҉ +3&, ຊ˩˿˂˻˲டٰ֖ڼຌ҇ƒ ٚƒजڗ ࢬັ९ऩƔπۨƒ DŽ*$0(66 ʊࠄɴʫɾഒӘߥ'&ສѓӌޟك ʍˡʶ˨˼˕˛ന໑ѓDž ƒਫ਼ ҉ഒѠӌஒ҇ƒ ٚƒ֮ ࢬັ९ऩƒ DŽ՜ػʍສѓӌޟكƕѓӌʇޟكՑʍౙୈɫҟɣɾफ़ ҚʇɼʍׯෆDž ƒਫ਼ Վ &$00 ˧ʻƪ˻˲ ਫ਼ ҉ແ҇ƒ ٚƒ֮ ࢬັ९ऩƔπۨƒ DŽഒӘߥ 03 ˩˿˂˻˲ʍׯݍʍୈҟʇ१ఉೆїDž ƒ ਫ਼ ҉ &06, ٰ֖҇ƒ ٚƒтݰ 0DVDWR.RED\DVKL'LYLGHDQGFRQTXHUTXDQWXPFKHPLVWU\SURJUDPLQ *$0(66,PSOHPHQWDWLRQDQGDSSOLFDWLRQ,QWHUQDWLRQDO:RUNVKRSRQ 0DVVLYHO\ 3DUDOOHO 3URJUDPPLQJ 1RZ LQ 0ROHFXODU 6FLHQFH -DQXDU\ 7RN\R ॸᒨ۠ېƒπۨƒ6WHSKDQ ,UOHƒDŽ՜ഒஞອӌޟكʱɶɾ '&')7% ʍҟౙDž ƒਫ਼ ҉ഒѓӌஒ҇ƒ ٚƒ֮ ॸᒨ۠ېƒπۨƒ6WHSKDQ ,UOHƒ DŽ՜ഒஞອӌޟكʱɶɾഒ 32 添付資料 3 Әߥثʇന໑ѓࠬʍҟౙDž ƒਫ਼ ҉ 7&&, ٰ֖҇ƒ ٚƒ тݰ ॸᒨ۠ېƒπۨƒॸਲјгƒйনോƒ6WHSKDQ ,UOHƒ DŽ˜ˠˋ˃ƪ˽ ʍѓӌ౩жʱࠪʩΑɥ '&')7% ʍҟౙʇന໑ѓDžਫ਼ ҉ &06, ٰ֖҇ƒ ٚƒтݰ 33 添付資料 3 䛂ி䛃ヨ㦂⏝㻌 ᭱⤊ᡂᯝሗ࿌䝣䜷䞊䝮 Ặྡ䠄ဨศ䠅 䕿▼ᶫ❶ྖ䚸୕Ꮿ㝯䚸⏣୰┿ᝅ䚸㤶ᒣṇ᠇䚸ᑎΎஅ ᡤᒓ䠄ဨศ䠅 ⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ 㟁Ꮚ䝯䞊䝹䠄௦⾲䠅 [email protected] ⏝ᮇ㛫䠄௦⾲䠅 ᖹᡂ 23 ᖺ 11 ᭶ 4 ᪥ 䡚 ᖹᡂ 24 ᖺ 9 ᭶ 14 ᪥ 34 添付資料 3 ʴ˩˼˃ƪˉ˹̅ 40$64XDQWXP0$WHULDOV6LPXODWRU ࠄݣʊ๑ɶɾ ݍ ˠƪ˛ ˠƪ˛՜ ➨୍ཎ⌮㟁Ꮚ≧ែィ⟬ࡢศ㔝࠾࠸࡚ࡣࠊ㏆ᖺࠊḢ⡿Ⓨࡢ࠸ᡭࡢⰋ࠸ィ⟬ࢯࣇ ࢺࡢᬑཬࡼࡾࠊᑓ㛛ᐙ࡛࡞ࡃ࡚ࡶᡭ㍍ィ⟬ࢆᐇ⾜ࡋ⤖ᯝࡀᚓࡽࢀࡿࡼ࠺࡞ࡗ ࡚ࡁ࡚࠸ࡿࠋᙜヱศ㔝ࡢ〈㔝ࡢᣑࢆ႐ࡪ୍᪉࡛ࠊࣈࣛࢵࢡ࣎ࢵࢡࢫࡋ࡚ࢯࣇࢺ ࡀ⏝ࡉࢀࡿࡇࡼࡿ▱㆑ࡢ✵Ὕࢆ༴ࡪࡴኌࡶ࠶ࡿࠋࡲࡓࠊィ⟬ᢏ⾡࠾ࡼࡧィ ⟬ࢯࣇࢺࡣ᩿ࡢ㛤Ⓨ࣭ᨵၿࡢດຊࡀ࡞ࡉࢀࡿࡁࡶࡢ࡛࠶ࡾࠊࡑࢀࡽࡢ㒊ศ తضƐ ࢆḢ⡿౫Ꮡࡍࡿࡇࡣࠊᮃࡲࡋ࠸࡛ࡣ࡞࠸⪃࠼ࡽࢀࡿࠋ ࡇࡢࡼ࠺࡞≧ἣࢆ⫼ᬒࠊᡃࠎࡣࠊ➨୍ཎ⌮ᮦᩱࢩ࣑࣮ࣗࣞࢱ QMAS (Quantum MAterials Simulator)ࡢ㛤Ⓨᛂ⏝ྲྀࡾ⤌ࢇ࡛࠸ࡿࠋ ࠕィ⟬ࢶ࣮ࣝࡢᥦ౪ࠖຍ࠼ࠊ ࠕࠕィ⟬⛉Ꮫ㛵ࢃࡿ▱㆑࣭ࣀ࢘ࣁ࣭࢘ᩥࢆඹ᭷ࡍࡿࡇࡼࡿࠊᖹ㠃Ἴᇶᗏ㟁 Ꮚ≧ែィ⟬ࣉࣟࢢ࣒ࣛ㛤Ⓨࡢࡓࡵࡢ⬟ຊࢆ⥔ᣢ࣭Ⓨᒎࡉࡏࡿࡓࡵࡢࣉࣛࢵࢺࣇ࢛࣮ ࣒ࡢᥦ౪ࠖ࠾ࡼࡧࠕ⮬ࡼࡾ㛤Ⓨࡉࢀࡓ᭱ඛ➃ࡢィ⟬ᢏ⾡ࢆ࠸ࡕ᪩ࡃᑟධࡍࡿࡓ ࡵࡢࣉࣛࢵࢺࣇ࢛࣮࣒ࡢᥦ౪ࠖࡶᛕ㢌࠾࠸࡚࠸ࡿࠋ QMAS ࡣࠊᖹ㠃Ἴᇶᗏ Projector Augmented-Wave (PAW) ἲࢆ⏝࠸࡚ࠊᐦᗘỗ㛵ᩘ ⌮ㄽᇶ࡙ࡁࠊ≀㉁ࡢ㟁Ꮚ≧ែ࠾ࡼࡧྛ✀≀ᛶ್ࢆ㧗⢭ᗘィ⟬࡛ࡁࡿࢶ࣮࡛ࣝ࠶ ࡿࠋ୍⯡ⓗ࡞ᵓ㐀᭱㐺࣭㟁Ꮚ≧ែィ⟬ᶵ⬟௨እࠕBerry ┦ࢆ⏝࠸ࡓ㟁Ꮚศᴟࠖࠊ ࠕ㟼㟁ሙୗ࡛ࡢ㟁Ꮚ≧ែࠖࠊ ࠕ୍ḟඖ/୕ḟඖ᭱ᒁᅾ࣡ࢽ࢚㌶㐨ࠖ ࠊ ࠕཎᏊࢫࢣ࣮࡛ࣝࡢ ㄏ㟁⋡ศᕸࠖࠊ ࠕ࢚ࢿࣝࢠ࣮ᐦᗘ࣭ᛂຊᐦᗘࠖࠊ ࠕࢡ࣮࣭ࣟࣥ࢝ࢵࢺ࢜ࣇ/᭷ຠ㐽ⶸయ 㸦ESM㸧ἲࠖ ࠊ ࠕࢫࣆࣥ㌶㐨┦స⏝࣭ࣀࣥࢥࣜࢽ☢ᛶࠖࠊ ࠕ㝧㟁Ꮚ≧ែ࣭ᾘ⁛ࣃࣛ ࠬޟكƐ ʉ๑ൣ Ƹऺʍೝњƹ ࣓࣮ࢱࠖ ࠊࠕELNES/XANES ࢫ࣌ࢡࢺࣝࠖࠊࡢ≉ᚩⓗ࡞ィ⟬ᶵ⬟ࢆ᭷ࡍࡿࠋ ۥਚ๑װਦݦຟʍഉތʉৠँƸεਂҚ෮ƐຑҚƐΦƐٓԫƐࢃഐஉƹʍ ۥਚʇ१ࠃʱਫ਼φڀޟكʇ 3KDVH)LHOG ʱໞشɴɺʅ҈ɸʪƑறʊ՜ ')7 ޟكʊʧʩƐຑҚƔҚ෮ƔٓԫʍۥਚʇອӌʉжஊƐɼɲʆʍࢃഐƔ װ२ഒʍดӘʱ୕˾˫˽ɪʨʨɪʊɸʪƑචʴ˩˼ʊʧʪࢊחжອƔח ࢊʺ˟˽ˀƪ҈উɫࡥ๗ʇʉʪƑ ୕ݦຟʱऐʇɶʅओݦຟʍۥਚਢʣ୕ࣳੌ҈উʊەɮӜ๑ɸʪƑɴ ʨʊʺ˝́ݥחݍՠனʱ๑ɣɾอ˽˙˴ۄʍۥયʣƐҺ࠱ˋˬˁ˚˽ޟكՑఉ ʱ૾ɷʅƐࣛʍഐ१ʊʧʩघɮృʪƑˋ˦̅ՠனਂݴک๑Ɣˠ̅˅˼˝ʴߩ १ޟكՑఉʊʧʩƐЂևߩঊʱʎɷʠʇɸʪߩ१ݦຟʍҟౙʊߕɸʪƑ ҟౙׅࣳƸઅ१ఉƐ ⌧Ⅼ࡛ࠊࣇࣛࢵࢺ MPI ຍ࠼ࠊOpenMP࣭ࢫࣞࢵࢻ୪ิࢆ⏝࠸ࡓࣁࣈࣜࢵ ന໑୩Ɛࠄۼ१ఉஉʱ ࢻ୪ิࠊ࠾ࡼࡧࠊk Ⅼ୪ิࣂࣥࢻ࣭G Ⅼ୪ิࡢ㔜ࡀࡋ࡚࠾ࡾࠊ㉸ கʝɧɾ२ׅࣳƐڇ ୪ิ⎔ቃᑐᛂࡋࡓ≧ἣ࡞ࡗ࡚࠸ࡿࠋヨ㦂ࣀ࣮ࢻᩘ 3840 ࣀ࣮ࢻ(n)ࠊཧ↷ࣀ ࣳʍฆஉʱଜສ ࣮ࢻᩘ 1920 ࣀ࣮ࢻ(m)࡛ࡢࢸࢫࢺィ⟬࠾࠸࡚ࠊn ࣀ࣮ࢻ࡛ࡢᐇ⾜㛫 5455 ʊ՝ݢђɴɣƑ ƹ ⛊ࠊm ࣀ࣮ࢻ࡛㔝ᐇ⾜㛫 10314 ⛊ࠊn ࣀ࣮ࢻ࡛ࡢ₇⟬ᛶ⬟ 100TFLOPSࠊm 35 添付資料 3 Ƹऺʍೝњƹ ࢫࢺࣟࣥࢢࢫࢣ࣮ࣜࣥࢢಀᩘȘࡣ 0.95 ࣀ࣮ࢻ࡛ࡢ₇⟬ᛶ⬟ 53TFLOPS ࡛࠶ࡾࠊ ࡛࠶ࡗࡓࠋ3840 ࣀ࣮ࢻ࡛༑ศ࡞୪ิィ⟬ᛶ⬟ࢆ᭷ࡋ࡚࠸ࡿࡇࡀᐇドࡉࢀࡓࠋ ߒٽ๑ʊʧʪ ヨ㦂⏝ᮇ㛫࠾࠸࡚ࡣࠊᛶ⬟ホ౯ࡢࡳࠋ २Ѣҩ๗ Ƹऺʍೝњƹ ிࡢ୍⯡⏝ㄢ㢟ࡋ࡚ࠕ᪂☢▼ᮦᩱ᥈ᰝࡑࡢಖ☢ຊⓎ⌧ᶵᵓࡢゎ᫂ࠖࢆ⏦ ㄳࡋࠊ᥇ᢥࡉࢀࡓࠋQMAS ࡣࠊࡇࡢ◊✲ㄢ㢟㐙⾜࠶ࡓࡾࠊᇶ㍈ࢯࣇࢺ࢙࢘ گܩʍكѾƐୈං ࡢ୍ࡘࡋ࡚ά⏝ࡉࢀ࡚࠸ࡿࠋࡲࡓࠊᡓ␎ࣉࣟࢢ࣒ࣛศ㔝㸰ࡢ㔜Ⅼㄢ㢟ࠕ㔠ᒓ ⣔ᵓ㐀ᮦᩱࡢ㧗ᛶ⬟ࡢࡓࡵࡢ࣐ࣝࢳࢫࢣ࣮ࣝ⤌⧊タィ࣭ホ౯ᡭἲࡢ㛤Ⓨࠖ ࠾࠸࡚ࠊ␗┦⏺㠃࣭⢏⏺࣭㌿ࡢᒁᡤᛂຊ࣭ᒁᡤ࢚ࢿࣝࢠ࣮ࡢゎᯒࡢࢶ࣮ࣝ ࡋ࡚ QMAS ࢆά⏝ࡍࡿィ⏬࡛࠶ࡿࠋ ۾С ▼ᶫ ❶ྖ, 䝇䝢䞁㌶㐨┦స⏝䛸䝜䞁䝁䝸䝙䜰☢ᛶ, ィ⟬ᮦᩱ⛉Ꮫ䛾䝣䝻䞁䝔䜱䜰ຮ ഞƐ۾СƐ ɼʍࡰഐ ᙉ, ụ⏣ᕷ, 2012.3.7. 㤶ᒣṇ᠇, ᖹ㠃Ἴᇶᗏἲ࠾ࡅࡿᒁᡤ࢚ࢿࣝࢠ࣮࣭ᒁᡤᛂຊィ⟬ἲ, ィ⟬ᮦᩱ⛉ Ꮫ䛾䝣䝻䞁䝔䜱䜰ຮᙉ, ụ⏣ᕷ, 2012.3.7. 㤶ᒣṇ᠇, 㔠ᒓ୰ࡢ⢏⏺࣭⏺㠃ࡢ➨୍ཎ⌮ィ⟬㸸ຊᏛ≉ᛶࡢゎ᫂ྥࡅ࡚, ᖹᡂ 24 ᖺᗘィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ➨୍ᅇࢩ࣏ࣥࢪ࣒࢘, ᮾᏛ, 2012.6.18 36 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ⏣ṇಇࠊ୕⃝㈗ᏹࠊ୰ᮧ☻ࠊ᳃⏣ᝅྐ ᡤᒓ㸦ဨศ㸧 ᮾிᏛᕤᏛ⣔◊✲⛉≀⌮ᕤᏛᑓᨷ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 LPDGD#DSWXWRN\RDFMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ ᖺ ᭶ ᪥ 㹼 ᖹᡂ ᖺ ᭶ ᪥ 37 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ 0$&( ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻ ࣀ࣮ࢻつᶍ ➨୍ཎ⌮ⓗ࡞㟁Ꮚ≧ែィ⟬ἲࡣࠊ≀㉁ࡢᛶ㉁ࢆ⌮ゎࡋᛂ⏝ࡍࡿୖ࡛ᇶ♏ⓗ࡞㔜 せᛶࢆᣢࡗ࡚࠸ࡿࠋ≉㟁Ꮚ┦㛵ࡢᙉ࠸⣔̿ᙉ┦㛵㟁Ꮚ⣔̿ࡣ㏆ᖺከࡃࡢᇶ♏ ≀⌮Ꮫⓗព⩏ࡢ㧗࠸⌧㇟ࡢⓎぢࡀ⥆ࡁࠊ᪂ᶵ⬟ࡸ᪂ཎ⌮ࢆ⏝࠸ࡓᛂ⏝ࡢᮇ ᚅྜࢃࡏ࡚ࠊ㟁Ꮚ≧ែゎ᫂ἲ☜❧ࡢᮇᚅࡣࡁ࠸ࠋࡇࡢࡼ࠺࡞⌧㇟ࡸ≀ᛶ ࡢࡋ࡚㧗 ㉸ఏᑟࢆࡣࡌࡵࠊ㔜࠸㟁Ꮚ⣔ࡸ᭷ᶵᑟయ࡞࡛ࡢ᪂ᶵᵓ㉸ఏᑟࠊ ࢫࣆࣥᾮయ࡞ࡢ᪂ወ㔞Ꮚᾮయࠊศᩘ㔞Ꮚ࣮࣍ࣝຠᯝࡸࢺ࣏ࣟࢪ࢝ࣝ⤯⦕యࡢ ࡼ࠺࡞ࢺ࣏ࣟࢪ࣮ຠᯝ࡞ࡀ࠶ࡿࠋࡋࡋᐦᗘỗ㛵ᩘἲࢆྵࡵࠊᚑ᮶ࡢ㟁Ꮚ≧ ែィ⟬ἲࡣᙉ┦㛵㟁Ꮚ⣔ࡢ㐺⏝ࡀᅔ㞴࡛࠶ࡗࡓࠋ᭱㏆ࡼ࠺ࡸࡃࠊᙉ┦㛵㟁Ꮚ ⣔ࡢᣢࡘ≉ᚩⓗ࢚ࢿࣝࢠ࣮㝵ᒙᵓ㐀ࢆ⏝ࡋࠊ㟁Ꮚ┦㛵ࡢᙉ࠸⣔ࢆ➨୍ཎ⌮ⓗ ゎ᫂ࡍࡿࡓࡵࡢィ⟬0$&(ࡀྍ⬟࡞ࡗࡓࠋᮏࣉࣟࢪ࢙ࢡࢺࡢ┠ⓗࡣ 0$&( ࢆ᪉ἲㄽⓗᩚഛࡋࠊỗ⏝ⓗᡭἲࡋ࡚☜❧ࡋ࡚ࠊிࢆྵࡵࢫ࣮ࣃ࣮ࢥࣥࣆࣗ ࣮ࢱࢆ⏝࠸ࡓつᶍィ⟬ࡼࡗ࡚ᙉ┦㛵㟁Ꮚ⣔ࡢ≀ᛶゎ᫂ࠊண ᙺ❧࡚ࡿࡇ ࡛࠶ࡿࠋ 0$&( ࡣ ẁ㝵ࡽᡂࡿࠋ➨㸯ẁ㝵࡛ᒁⓗ㟁Ꮚᵓ㐀ࢆᐦᗘỗ㛵ᩘἲ*: ἲᇶ ⫼ᬒࠊ┠ⓗ ࡙ࡁồࡵࡿࠋ➨㸰ẁ㝵࡛ࣇ࢙࣑ࣝࣞ࣋ࣝࡽ㐲࠸㧗࢚ࢿࣝࢠ࣮⮬⏤ᗘࡢ㒊ศ≧ ែࢆྲྀࡾࠊᾘཤࡍࡿ᧯సࢆ⧞㎸ࡳ⩌ⓗ⾜࡞࠸ࠊప࢚ࢿࣝࢠ࣮᭷ຠᶍᆺࢆᑟ ࡃࠋ➨㸱ẁ㝵࡛᭷ຠᶍᆺࢆ㧗⢭ᗘప࢚ࢿࣝࢠ࣮ࢯࣝࣂ࣮࡛ゎࡃࠋࡇࡢ㝵ᒙᡭἲ ࡼࡾᐦᗘỗ㛵ᩘἲࡢᢪ࠼ࡿᅔ㞴ࢆඞ᭹ࡍࡿࠋ➨㸰ẁ㝵࡛ࡣ᭱ᒁᅾ࣡ࢽ࢚ᇶᗏ ࢆồࡵࠊไ㝈㞧┦㏆ఝF53$ࡼࡾࠊ㧗࢚ࢿࣝࢠ࣮⮬⏤ᗘࡽࡢ㐽ⶸຠᯝ ࢆྲྀ㎸ࢇࡔ᭷ຠ┦స⏝㐠ື࢚ࢿࣝࢠ࣮ࢆồࡵࡿࠋప࢚ࢿࣝࢠ࣮ࢯࣝࣂ࣮ࡣ ከኚᩘኚศࣔࣥࢸ࢝ࣝࣟἲ㸦P90&㸧ࢡࣛࢫࢱᣑᙇࡋࡓືⓗᖹᆒሙἲ'0)7ࢆ ᙜ㠃᥇⏝ࡍࡿࠋ≀ᛶ≀⌮Ꮫࡢ㛗ᖺࡢᠱ࡛࠶ࡿࠊ㟁Ꮚ┦㛵ࡢᙉ࠸⣔ᑐࡍࡿ➨ ୍ཎ⌮ィ⟬ᡭἲࡀࢲ࢘ࣥࣇ࢛࣮ࣝࢹࣥࢢἲࡢ⼥ྜ࡛☜❧ࡋࠊ」㞧࡞ᙉ┦㛵 㟁Ꮚ⣔ࡢ≀ᛶゎ᫂ࡀྍ⬟࡞ࡗࡓࠋࡇࡢᡭἲࢆி࡛ᐇࡍࡿࠋࡇࡢᡭἲࢆ㐺⏝ ࡍࢀࡤࠊ࠼ࡤ㟁Ꮚ┦㛵ຠᯝࡼࡿࠊ㌿⛣ ᗘࡢ㧗࠸㉸ఏᑟࡸ☢ᛶࡢᶵᵓゎ᫂ࠊ ≉㕲⣔᪂㉸ఏᑟయࠊ㖡㓟≀㉸ఏᑟయ➼࡞ࡢ≀ᛶゎ᫂ࡀᮇᚅ࡛ࡁࡿࠋࡲࡓ ࢺ࣏ࣟࢪ࢝ࣝ⤯⦕య࠾ࡅࡿ㟁Ꮚ┦㛵ࡀ⏕ࡴ᪂㔞Ꮚ┦ࠊ᭷ᶵᑟయ➼࡛ࡢ㔞Ꮚࢫ ࣆࣥᾮయ࡞ࠊ᪂㔞Ꮚ┦࣭᪂㔞Ꮚ┦㌿⛣ࡢᏑᅾࡢ᳨ドࡀ㐍ࡴࠋࡉࡽᙉ┦㛵ຠ ᯝࡼࡿ᪂ᶵ⬟࡞ࢆࡵࡊࡋ࡚ࠊࣃ࣓ࣛࢱࢧ࣮ࢳࡼࡿ≀㉁᥈⣴ࡀྍ⬟࡞ࡿࠋ ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 ࢲ࢘ࣥࣇ࢛࣮ࣝࢹࣥࢢἲࡼࡿᙉ┦㛵➨୍ཎ⌮᭷ຠᶍᆺࢆᑟฟࡍࡿࡓࡵࡢไ 㝈 53$ ἲ᭷ຠᶍᆺࡢࢯࣝࣂ࣮ࡋ࡚ࡢከኚᩘኚศࣔࣥࢸ࢝ࣝࣟἲࢆ」ྜࡋࡓ 0$&(㸦➨୍ཎ⌮ᙉ┦㛵㟁Ꮚ≧ែィ⟬ἲ㸧 ไ㝈 53$ ἲ࠾࠸࡚ࡣ 53$ ࡶ࡙ࡃㄏ㟁㛵ᩘィ⟬ࢆ⾜࡞࠸ࠊከኚᩘኚศࣔࣥ 38 添付資料 3 ῧ㈨ᩱ ࢸ࢝ࣝࣟἲ࠾࠸࡚ࡣᩘ༓ࡢኚศࣃ࣓ࣛࢱࢆ᭱㐺ࡋ࡞ࡀࡽࠊኚศἼື㛵ᩘࡢ ࠼ࡿ≀⌮㔞ࡢᮇᚅ್ࡢࣔࣥࢸ࢝ࣝࣟィ⟬ࡼࡿホ౯ࢆ࠾ࡇ࡞࠺ࠋ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ไ㝈 RPA ィ⟬ࢥ࣮ࢻ㒊ศࡣ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ 24300 ࣀ࣮ࢻ࡛ࡢ ᐃ್ࡀ flops/peak = 19%, mips/peak =26%ࠊ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ ከኚᩘኚศࣔࣥࢸ࢝ࣝࣟἲࡢࢥ࣮ࢻ㒊ศࡣ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ 24576 ࣀ࣮ࢻ࡛ flops/peak = 12%, mips/peak =19% グ㍕ୗࡉ࠸ࠋ 㸧 ࡛࠶ࡿࠋ 㸦ᅗࡢῧྍ㸧 ᙉ┦㛵㟁Ꮚࡢࡶࡘ≉ᚩⓗ࡞࢚ࢿࣝࢠ࣮㝵ᒙᵓ㐀ࢆ⏝ࡍࡿࡇࡼࡗ࡚ࠊ㟁Ꮚ ┦㛵ࡢᙉ࠸⣔ࡢ㟁Ꮚ≧ែࢆ➨୍ཎ⌮ⓗゎ᫂ࡍࡿࡓࡵࡢィ⟬ἲࡀࠊ3 ẁ㝵ࡢ⥲ ྜⓗ࡞ᡭἲ MACE(Multi-scale Ab initio scheme for Correlated Electrons) ࡋ࡚☜❧ࡋࡓࠋᮏࣉࣟࢪ࢙ࢡࢺ࡛ࡣᡭἲࡢせ⣲࡞ࡿࠊ᭷ຠᶍᆺᑟฟࡢࡓࡵࡢ ไ㝈㞧┦㏆ఝࡢࢥ࣮ࢻࠊ࠾ࡼࡧᶍᆺࢯࣝࣂ࣮ࡋ࡚ከኚᩘኚศࣔࣥࢸ࢝ࣝ ࣟィ⟬ࢥ࣮ࢻࢆ㧗ᗘ୪ิࡋࠊMACE ࢆ㐺⏝ࡋ࡚ࠊ㕲⣔㉸ఏᑟయࠊ᭷ᶵᑟయࠊ ࢫࣆࣥ㌶㐨┦స⏝ࡢᙉ࠸⣔ࡢ≀⌮ࡢ➨୍ཎ⌮ⓗゎ᫂ࢆ⾜࡞ࡗࡓࠋ 2008 ᖺ 2 ᭶Ⓨぢࡉࢀࠊ⮫⏺ ᗘࡀ 50 ᗘࢆ㉸ࡍ㕲⣔㉸ఏᑟయࡣⓎぢᚋᩘ᭶ ࡛ࠊከࡃࡢྜ≀ࡀ⊂⮬ࡢ㉸ఏᑟከᵝ࡞⮫⏺ ᗘࠊ☢ᛶࢆ♧ࡍࡇࡀ᫂ࡽ ࡞ࡗࡓࠋࡇࡢྜ≀⩌ࡣࠊLaFeAsO ࢆࡣࡌࡵࠊLaFePOࠊBaFe2As2 ࡢࡼ ࠺࡞ࢽࢡࢱࢺᆺ FeSe ࡸ FeTe ࡢࡼ࠺࡞࢝ࣝࢥࢤࢼࢺᆺࡢྜ≀ࡀ࠶ࡿࠋ ヨ㦂⏝ࡼࡿ Ⓨぢᚋ 3 ᖺ௨ୖ⤒ࡘࡀࠊ㉸ఏᑟᶵᵓࡣゎ᫂ࡉࢀ࡚࠸࡞࠸ࠋ㟁Ꮚ┦㛵ຠᯝࡀࡢ ᡂᯝᴫせ ⛬ᗘ㔜せࡘ࠸࡚ࡢྜពࡶᙧᡂࡉࢀ࡚࠸࡞࠸ࠋࡇࡢྜ≀⩌ᑐࡋࠊMACE 㸦ᅗࡢῧྍ㸧 ࡢ➨୍ẁ㝵࡛ᒁࣂࣥࢻᵓ㐀ࢆồࡵࠊ➨ 2 ẁ㝵ࡢࢲ࢘ࣥࣇ࢛࣮ࣝࢹࣥࢢἲࢆ 㐺⏝ࡋࠊᐃ㔞ⓗ࡞ప࢚ࢿࣝࢠ࣮᭷ຠᶍᆺࢆ௨๓ࠊୡ⏺ඛ㥑ࡅ࡚ᑟฟࡋࡓࠋ 㕲⣔㉸ఏᑟయࡣ㉸ఏᑟ┦㏆ഐࡢẕ≀㉁ࡀᙉ☢ᛶ⛛ᗎࢆ♧ࡍࡇࡀከ࠸ࡀࠊ☢ Ẽ⛛ᗎ࣮࣓ࣔࣥࢺ㸦⛛ᗎࣃ࣓ࣛࢱ㸧ࡣ≀㉁⩌ࡼࡾከᵝ࡛ࠊ⛛ᗎࡢ࡞࠸ LaFePO ࡽࠊ࣮࣓ࣔࣥࢺࡀ㸰ȣB ௨ୖࡢ FeTe ࡲ࡛ከᵝ࡛࠶ࡾࠊࡑࡢཎᅉࡀㅦ࡛࠶ࡗࡓࠋ ᡃࠎࡣ➨୍ཎ⌮᭷ຠᶍᆺࢆࠊከኚᩘኚศࣔࣥࢸ࢝ࣝࣟἲ࡛ゎࡁࠊ≀ᛶࢆゎ᫂ࡋ ࡓࠋࡑࡢ⤖ᯝࠊᅗࡢࡼ࠺ࡇࡢከᵝࡉࡀ᭷ຠ㟁Ꮚ㛫┦స⏝ࡢࡁࡉࡢ㐪࠸ ࡼࡗ࡚ᐃ㔞ⓗࡶ 10%௨ෆࡢ⢭ᗘ࡛ㄝ࡛᫂ࡁࡿࡇࠊLaFeAsO ࡛ࡣᐇ㝿 ࡲ࡛ࡢ➨୍ཎ⌮ィ⟬࡛ㄝ᫂ࡢ࡛ࡁ࡞ࡗࡓᑠࡉ࡞☢Ẽ࣮࣓ࣔࣥࢺࡀ㔞Ꮚ⮫⏺Ⅼ ㏆ഐࡢ⌧㇟ࡋ࡚ㄝ࡛᫂ࡁࡿࡇࢆ᫂ࡽࡋࡓࠋ☢ᛶࡢከᵝᛶࡢཎᅉࡀࠊ㟁 Ꮚ㛫┦స⏝ࡢྜ≀౫Ꮡࡋࡓ㐪࠸㸦㐳ࡿඹ᭷⤖ྜᛶ࢜ࣥᛶࡢ㐪࠸㸧 ⏤᮶ࡍࡿࡇࢆ➨୍ཎ⌮ⓗ᫂ࡽࡋࡓࢃࡅ࡛࠶ࡿࠋ 39 添付資料 3 ῧ㈨ᩱ ࡉࡽࠊ㟁Ꮚ⃰ᗘ㹬ࡢ㛵ᩘࡋ࡚☢Ẽ⛛ᗎࣃ࣓ࣛࢱࡢࡁࡉࢆᖺᗘィ⟬ࡋࠊ ᅗࡢࡼ࠺㕲⣔㉸ఏᑟయࡢ⨨ࡍࡿ n =1.2, Ȣ㸻1 ㏆ࡢ≧ែࡀ n =1 ࢆ୰ᚰ ࡍࡿࣔࢵࢺ⤯⦕యࡢᕧ࡞ᙳ㡪ୗ࠶ࡿࡇࢆ᫂ࡽࡋࡓࠋࡇࢀࡣ㟁Ꮚ┦㛵 ࣔࢵࢺ⤯⦕యࡢ≀⌮ࡢ㔜せࡉࢆ♧ࡍỴᐃⓗ࡞ドᣐ࡛࠶ࡾࠊᚋࡢ㉸ఏᑟᶵᵓ ゎ᫂ࡗ࡚ࡶ㘽࡞ࡿࠋ ࢫࣆࣥ㌶㐨┦స⏝ࡢࡁ࡞ࣜࢪ࣒࢘ྜ≀ࡢ➨୍ཎ⌮᭷ຠᶍᆺࢆᑟฟࡋࠊ ືⓗᖹᆒሙ⌮ㄽࡼࡾ㟁Ꮚ≧ែࢆゎ᫂ࡋࡓࠋࡇࡢ≀㉁ࡀࢫ࣮ࣞࢱ⤯⦕యࡼࡤ ࢀࡿ≀㉁࡛࠶ࡿࡇࢆゎ᫂ࡋࡓࠋ 2 ✀㢮ࡢ᭷ᶵᑟయࡢ➨୍ཎ⌮᭷ຠᶍᆺࢆᑟࡁࠊᚋࡢ㟁Ꮚ≧ែゎ᫂ࡢᇶ♏ࢆ⠏ ࠸ࡓࠋࡲࡓࡇࡢ᭷ຠᶍᆺࢆゎࡁࠊࣔࢵࢺ㌿⛣ࢆྵࡴ┦ᅗࢆồࡵࠊᐇ㦂⤖ᯝࢆᴫ ࡡ⌧ࡍࡿࡇࢆ♧ࡋࡓࠋ ிࡢ⌧ᐇᛂ⏝ࢆ㐍ࡵࠊ㕲⣔㉸ఏᑟయࡢ㉸ఏᑟᶵᵓࠊ᭷ᶵᑟయࡢ㔞Ꮚࢫࣆࣥᾮయ ᚋࡢィ⏬ࠊᒎᮃ ࣔࢵࢺ㌿⛣ᶵᵓࠊ㖡㓟≀㉸ఏᑟᶵᵓࠊࢫࣆࣥ㌶㐨┦స⏝㟁Ꮚ┦㛵ࡢ⤡ ࡴ≉␗≀ᛶゎ᫂ྲྀࡾ⤌ࡴࠋ Kazuma Nakamura, Yoshihide Yoshimoto, and Masatoshi Imada “Ab initio two-dimensional multiband low-energy models of EtMe3Sb[Pd(dmit)2]2 and ȡ-(BEDT-TTF)2Cu(NCS)2 with comparisons to single-band 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Rev. B 86, 205117 (2012) T. Misawa, K. Nakamura and M. Imada, “Ab initio Evidence for Strong Correlation Associated with Mott Proximity in Iron-based Superconductors”, Phys. Rev. Lett.108, ㄽᩥࠊㅮ₇ࠊ ࡑࡢฟ∧≀ 177007 (2012). R. Arita, J. Kunes, A.V. Kozhevnikov, A.G. Eguiluz, M. Imada, “Ab initio Studies on the Interplay between Spin-Orbit Interaction and Coulomb Correlation in Sr2IrO4 and Ba2IrO4, Phys. Rev. Lett. 108, 086403 (2012). Hiroshi Shinaoka, Takahiro Misawa, Kazuma Nakamura, Masatoshi Imada, “Mott Transition and Phase Diagram of kappa-(BEDT-TTF)2Cu(NCS)2 Studied by Two-Dimensional Model Derived from Ab initio Method, J. Phys. Soc. Jpn., 81, 034701(2012)㸬 ㅮ₇ 40 添付資料 3 ῧ㈨ᩱ Masatoshi Imada, Plenary talk “Quantum Simulation for Real Strongly Correlated Systems” in IUPAP Conference on Computational Physics 2012㸦CCP2012㸧, October 2012, Kobe. 䛭䛾ฟ∧≀㻌 ⏣ṇಇ, 䛂ㄅୖ䝉䝭䝘䞊㻌 ➨୍ཎ⌮ィ⟬ᡭἲ䛻䜘䜛ᙉ┦㛵㟁Ꮚ⣔䛾㟁Ꮚ≧ែ䛾ゎ ᫂䠄䛭䛾1䠅ᴫほ䛃, 䛄ᅛయ≀⌮䛅 46,351 (2011). ୕Ꮿ㝯, ⏣ṇಇ, 䛂ㄅୖ䝉䝭䝘䞊㻌 ➨୍ཎ⌮ィ⟬ᡭἲ䛻䜘䜛ᙉ┦㛵㟁Ꮚ⣔䛾㟁Ꮚ ≧ែ䛾ゎ᫂䠄䛭䛾2䠅┦㛵䛾ᙉ䛔㟁Ꮚ⣔䛾䛯䜑䛾➨୍ཎ⌮ィ⟬ᡭἲ䛸䛭䛾ᒎ㛤䛃, 䛄ᅛయ≀⌮䛅, 46, 499 (2011). ⏣ṇಇ, ୕Ꮿ㝯, ࠕㄅୖࢭ࣑ࢼ࣮ ➨୍ཎ⌮ィ⟬ᡭἲࡼࡿᙉ┦㛵㟁Ꮚࡢ㟁Ꮚ ≧ែࡢゎ᫂㸦ࡑࡢ 3㸧᭷ຠᶍᆺࠖ, ࠗᅛయ≀⌮࠘,47, 113 (2012). 41 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ▼ᮧஓ ࠊሯຬ㉳ ࠊす⿱ஓ ࠊᒣᮌ㍜ ࠊ۵ኳ⬟⢭୍㑻 ᡤᒓ㸦ဨศ㸧 ศᏊ⛉Ꮫ◊✲ᡤࠊ⚄ᡞࢩࢫࢸ࣒ሗᏛ◊✲⛉ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 WHQQR#FVNREHXDFMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ ᖺ ᭶ ᪥ 㹼 ᖹᡂ ᖺ ᭶ ᪥ 42 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻつᶍ ⫼ᬒࠊ┠ⓗ *(//$1 ᭱ ࣀ࣮ࢻ ィ⟬ᶵࢆ⏝࠸࡚ಙ㢗ᗘࡢ㧗࠸ศᏊタィࡣ㠀⤒㦂ⓗศᏊ㌶㐨ἲࡢ࣏ ࢫࢺࣁ࣮ࢺ࣮࣭ࣜࣇ࢛ࢵࢡࡢᡭἲࡀྍḞ࡛࠶ࡿࠋᮏ◊✲࡛ࡣࠊࡇࢀ ࡽࡢ㉸୪ิᐇࢆ⾜࠸ࠊࢼࣀࢫࢣ࣮ࣝᮦᩱࡢᐃ㔞ⓗ࡞⌮ㄽணゝࢆྍ⬟ ࡍࡿࠋ ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 ) ⌮ㄽࡣᚑ᮶ࡢ㌶㐨ࡢᴫᛕࢆ㉸࠼ࡿ 㟁Ꮚ㛵ᩘ㸦ࢪ࢙࣑ࢼࣝ㸧ࢆ⏝ ࠸࡚㧗⢭ᗘィ⟬ࢆ㐩ᡂࡍࡿࡶࡢ࡛࠶ࡾࠊ㠀⤒㦂ⓗศᏊ㌶㐨⌮ㄽࡢศ㔝 ࡢࣈ࣮ࣞࢡࢫ࣮ࣝࡋ࡚ୡ⏺୰࡛㛤Ⓨࡀ㐍ࡵࡽࢀ࡚࠸ࡿࠋ) ィ⟬ ᚲせ࡞࡚ࡢከ㟁Ꮚ✚ศࢆศᏊồ✚ἲࢆ⏝࠸࡚࠾ࡾࠊồ✚Ⅼࢆศᩓࡉ ࡏࡿࡇࡼࡾࠊ࣎ࢺࣝࢿࢵࢡ࡞ࡿ✚ศ₇⟬✚ศኚࡀ㉸୪ิィ ⟬⎔ቃ࡛ຠ⋡ⓗᐇ⾜ࡉࢀࡿࠋ ࣁࣈࣜࢵࢻ୪ิ03,2SHQ03ࠊ ࣀ࣮ࢻ ࢥࡲ࡛ࡢࣀ ࣮ࢻᣑࢆ⾜ࡗࡓࠋ&+ ࡢ ࣀ࣮ࢻࡢィ⟬࡛ࡣࠊ2SHQ03 ⏝ ࡛ ࣀ࣮ࢻ ࢥᙜࡓࡾ *% ࡢ࣓࣮ࣔࣜࢆ⏝ࡋࠊᐇຠᛶ⬟ࡣ 㸣࡛࠶ࡗࡓࠋ ࣀ࣮ࢻࡽ ࣀ࣮ࢻࡢࢫࢺࣟࣥࢢࢫࢣ࣮ ࣜࣥࢢࡢ୪ิຠ⋡ࡣ ࡛࠶ࡗࡓࠋ⌧≧ࡋ࡚ࡢၥ㢟Ⅼࡋ࡚ࠊ ᑠつᶍ࡞⾜ิᑐゅࡸ⾜ิ✚ࡀ┠❧ࡗ࡚᮶࡚࠾ࡾࠊ࡚ࡢࣀ࣮ࢻᩘࢆ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ⏝࠸࡞ࡃ࡚ࡶຠ⋡ⓗാࡃ㸦㛗⾲⌧ࢆྵࡴ㸧⾜ิ₇⟬ࣛࣈ࣮ࣛࣜ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ ࡢᩚഛࡀᚲせ࡛࠶ࡿ⪃࠼ࡽࢀࡿࠋ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ グ㍕ୗࡉ࠸ࠋ 㸧 㸦ᅗࡢῧྍ㸧 43 添付資料 3 ῧ㈨ᩱ ศᏊồ✚ 03 ἲ 03) ἲࡢ㉸୪ิᐇࢆ⾜࠸ࠊࢼࣀࢫࢣ࣮ࣝࡢศ Ꮚ⣔࡛ࡢ㧗⢭ᗘィ⟬ࢆྍ⬟ࡋࡓࠋศᏊồ✚ 03 ἲ࡛ࡣᕧ࡞ࣔࢹࣝ ࣇࣛࣇ࢙ࣥࢩ࣮ࢺࡢ┦స⏝࢚ࢿࣝࢠ࣮ࢆィ⟬ࡋࡓࠋ ヨ㦂⏝ࡼࡿ ᡂᯝᴫせ 㸦ᅗࡢῧྍ㸧 ᚋࡢィ⏬ࠊᒎᮃ ᚋࡣⅣ⣲ᮦᩱࢆ୰ᚰ 03) ἲࢆ⏝࠸ࡓつᶍ࡞ࣉࣟࢲࢡࢩࣙ ࣥࣛࣥࢆ⾜࠺ணᐃ࡛࠶ࡿࠋཪࠊ㔜ඖ⣲⣔ࡢᮦᩱタィࡸࠊࣔࢹ࣓ࣝࢱࣝ ࢡࣛࢫࢱ࣮ࡢィ⟬ࡼࡿᕼᅵ㢮ࡢ௦᭰ྜ㔠ࡢ᥈⣴ࢆ┠ᶆࡋ࡚ࠊ 㓄⨨㛫┦స⏝ྠ୍ࡢ⢭ᗘ࡛ィ⟬ྍ⬟࡞⌮ㄽࡢᐇࢆ⾜࠺ࠋ Kazuya Ishimura, Seiichiro Ten-no. “DEVELOPMENT OF MASSIVELY PARALLEL ALGORITHM FOR MP2-F12 CALCULATIONS” Theory and Applications in Computational Chemistry (TACC) 2012, September 2 - 7 (2012) Pavia, Italy ㄽᩥࠊㅮ₇ࠊ Kazuya Ishimura, Yu-ya Ohnishi, Yuhki Ohtsuka, Daisuke ࡑࡢฟ∧≀ Yamaki, Seiichiro Ten-no, "Recent advances in explicitly correlated electronic structure theory using cusp conditions", the 2012 International Congress of Quantum Chemistry, June 25 - 30 (2012) Boulder, Colorado, USA 44 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ۑᐑᓮ๛ ࠊሯᩍ㞝 ࠊ6$UDSDQࠊ᭷⏣㏻ᮁ ࠊ୰⏣ᙬᏊ ࠊ'5%RZOHU ᡤᒓ㸦ဨศ㸧 ≀㉁࣭ᮦᩱ◊✲ᶵᵓࠊ ⌮Ꮫ◊✲ᡤࠊ ᮾி⌮⛉Ꮫࠊ8QLYHUVLW\&ROOHJH /RQGRQ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 0,<$=$.,7VX\RVKL#QLPVJRMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ㸰㸱ᖺ 㸲᭶ 㸯᪥ 㹼 ᖹᡂ㸰㸲ᖺ 㸷᭶㸱㸮᪥ 45 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ &2148(67 ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻつᶍ ࣀ࣮ࢻ ィ⟬㛫ࠊ࣓ࣔࣜ㔞ࡀ⣔ࡢྵࡴཎᏊᩘ 1 ẚࡍࡿ࣮࢜ࢲ࣮1 ἲࢆ⏝࠸ࡿࡇ ⫼ᬒࠊ┠ⓗ ࡼࡾࠊᩘ༑ࡽⓒཎᏊࢆྵࡴ㉸つᶍ⣔ᑐࡋ࡚ᐦᗘỗ㛵ᩘἲࡶ࡙ ࡃ➨୍ཎ⌮ィ⟬ࢆᐇ⌧ࡍࡿࠋ 㸦㏻ᖖࡢ᪉ἲࡣィ⟬㛫ࡀ 1 ࡢ㸱ẚ㸧 ㏻ᖖࡢ➨୍ཎ⌮ィ⟬ᡭἲࡀ .RKQ6KDP ᪉⛬ᘧࡢᅛ᭷Ἴື㛵ᩘࢆ㟁Ꮚࡢᩘࡔࡅ ồࡵࡿࡢᑐࡋ࡚ࠊᮏᡭἲ࡛ࡣᐦᗘ⾜ิࢆồࡵࡿࡇࡼࡗ࡚㟁Ꮚ≧ែィ⟬ࢆ ⾜࠺ࠋࡉࡽࠊᐦᗘ⾜ิࡢ㠀ᑐゅ㡯ษ᩿༙ᚄࢆᑟධࡍࡿࡇࡼࡾ࣮࢜ࢲ࣮1 ἲࢆᐇ⌧ࡋ࡚࠸ࡿࠋ࠼ࡽࢀࡓཎᏊࡢ✀㢮ࠊཎᏊᗙᶆᑐࡋ࡚㔞Ꮚㄽࡶ࡙ ィ⟬ᡭἲࠊ ࠸ࡓ࢚ࢿࣝࢠ࣮ࠊཎᏊാࡃຊࡀᚓࡽࢀࡿࡢ࡛ࠊᵓ㐀᭱㐺ࠊ➨୍ཎ⌮ศᏊ ලయⓗ࡞⏝᪉ἲ ືຊᏛ࡞ࢆ⾜࠺ࡇࡀྍ⬟࡛࠶ࡿࠋ 㸦ᅗࡢῧྍ㸧 ලయⓗ࡞⏝᪉ἲࡣࠊ◊✲ᑐ㇟ࡍࡿ⣔ᑐࡋ࡚‽ഛࡉࢀࡓึᮇཎᏊᗙᶆ㸦ఱ ࡽࡢ⌮ㄽࣔࢹࣝࡸ㝈ࡽࢀࡓᐇ㦂⤖ᯝࡽ㢮᥎ࡉࢀࡿࢹ࣮ࢱ➼㸧 ࠊཎᏊࡢ✀㢮 ࡼࡗ࡚Ỵࡲࡿᨃ࣏ࢸࣥࢩࣕࣝࡢࢹ࣮ࢱ࡞ࢆධຊࡋ࡚ࠊࢭࣝࣇࢥࣥࢩࢫࢸࣥ ࢺ࡞㟁Ꮚ≧ែࢆồࡵࠊᵓ㐀᭱㐺࡞ࢆ⾜࠺ࡼࡗ࡚ࠊ࢚ࢿࣝࢠ࣮ⓗᏳᐃ ࡞ᵓ㐀ࠊ㟁Ꮚ≧ែࢆィ⟬ࡍࡿࠋ ୪ิᛶ⬟ࢆࢫࢺࣟࣥࢢࢫࢣ࣮ࣜࣥࢢ࣮࢘ࢡࢫࢣ࣮ࣜࣥࢢࡢ୧᪉࡛ㄪࠊຠ ⋡ྥୖࢆ⾜ࡗ࡚ࡁࡓࠋ୪ิᗘࡋ࡚ࡣ 24,576 ࣀ࣮ࢻࡲ࡛ࡢࢸࢫࢺࢆ⾜࠸ࠊ ༑ศ࡞୪ิຠ⋡ࡀฟ࡚࠸ࡿࢆ☜ㄆࡋࡓࠋ7680 ࣀ࣮ࢻࡲ࡛ࡢ⤖ᯝࢆᅗ㸯㸦ḟ ࣮࣌ࢪ㸧♧ࡍࠋᕥᅗࡀ⣙ 50 ཎᏊ⣔ᑐࡍࡿ 1920-7680 ࣀ࣮ࢻࡢࢫࢺࣟࣥ ࢢࢫࢣ࣮ࣜࣥࢢࠊྑᅗࡣ࣮࢘ࢡࢫࢣ࣮ࣜࣥࢢࡢ⤖ᯝ࡛࠶ࡿࠋᅗࡽศࡿࡼ ࠺ࠊ࣮࢘ࢡࢫࢣ࣮ࣜࣥࢢࡢ⤖ᯝࡣ 10,000 ࣀ࣮ࢻ⛬ᗘ࡛ࡶࢇ⌮ⓗ࡛ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ グ㍕ୗࡉ࠸ࠋ 㸧 㸦ᅗࡢῧྍ㸧 ࠶ࡿࡇࡀ♧ࡉࢀࡓࠋ 㸦24,576 ࣀ࣮ࢻࡲ࡛☜ㄆ῭ࠋ 㸧ࡲࡓࠊOpenMP+MPI ࡢࣁ ࣈࣜࢵࢻ୪ิࢆᑟධࡍࡿࡇࡼࡗ࡚㸯ࢥᙜࡓࡾ㸲ཎᏊ⛬ᗘ࡞ࡗ࡚ࡶ༑ ศ࡞ຠ⋡ࢆᚓࡿࡀྍ⬟࡞ࡾࠊ⤒㐣㛫ࡢᖜ࡞పῶᡂຌࡋࡓࠋ ᐇ⾜ᛶ⬟㛵ࡋ࡚ࡶࣉࣟࢢ࣒ࣛࡢ㧗ࢥࢫࢺ㒊ศࡢ᭩ࡁ┤ࡋࡼࡾࠊᙜึࡢ㸯 㸮ಸ௨ୖࡢ㏿ᗘྥୖࢆᚓࡓࠋ 㸦ࡑࡢᚋࠊࢥࣥࣃࣛࡢᨵၿࡶ࠶ࡿࡢ࡛⌧≧ࡣ᭱ึ ࡢ㏿ᗘࡀ㧗࠸ྍ⬟ᛶࡀ࠶ࡿࠋ 㸧ィ⟬᮲௳ࡼࡿࡀࠊ₇⟬㒊ศࡣᐇ⾜ຠ⋡ࡀ⌮್ ࡢ㸰㸮㸣ᙉ࡞ࡿࡇࢆ☜ㄆࡋ࡚࠸ࡿࠋ㏻ಙ㒊ศࢆྵࡵ࡚ࡶయ࡛㸯㸮㸣⛬ᗘ ࡢຠ⋡ࡀᚓࡽࢀࠊࡇࢀࡣᙜึࡢ┠ᶆ್ࡼࡾࡶ㧗࠸್࡛࠶ࡿࠋᮏィ⟬ᡭἲ࡛ࡣ㟁 Ꮚ≧ែࡢᒁᡤᛶࢆ࠺Ⅽࠊࣃࢱ࣮ࣥࡀ」㞧࡞ᵝࠎ࡞⾜ิࢆつᶍ୪ิィ⟬ ࡛⾜ࡗ࡚࠸ࡿࠋࡇࢀࡽࢆ⪃࠼ࡿࠊᴟࡵ࡚㧗࠸ᛶ⬟ゝ࠼ࡿ⪃࠼࡚࠸ࡿࠋ ⌧≧ࡢၥ㢟Ⅼࡋ࡚ࡣࠊ࣓ࣔࣜ㔞ࡀᡃࠎࡢண್␗࡞ࡿࡇࡀ࠶ࡆࡽࢀࡿࠋ ࡲࡓࠊࣉࣟࢲࢡࢩࣙࣥࣛࣥ࠾ࡅࡿ IO ຠ⋡ࡢࢳ࢙ࢵࢡࡀᚋᚲせ࡞ࡿࠋ 46 添付資料 3 ῧ㈨ᩱ ࢪࣙࣈࡢୖ㝈್ไ㝈ࡀ࠶ࡗࡓࡢ࡛ࠊࣉࣟࢲࢡࢩࣙࣥࣛࣥࢆ⾜࠺ࡣ࡛ࡁ࡞ ࡗࡓࠋ୍᪉ࠊࣉࣟࢢ࣒ࣛࡢ୪ิຠ⋡ྥୖࠊᐇ⾜ຠ⋡ྥୖ㛵ࡋ࡚ࡣࠊࣁࣈ ࣜࢵࢻ୪ิࡢᑟධᨵၿࠊࡉࡽ㧗ࢥࢫࢺ㒊ศࡢிࢥࣥࣆ࣮ࣗࢱ⏝ࡢ᭩ࡁ࠼ ࡼࡗ࡚ࠊࢫࢺࣟࣥࢢࢫࢣ࣮ࣜࣥࢢᐇ⾜ᛶ⬟ࡁ࡞ྥୖࡀᚓࡽࢀࡓࠋᐦᗘ ⾜ิ᭱㐺ࢆ⾜࠺Ⅽࡢ㛫ࡀⓗᑡ࡞ࡃ࡞ࡾࠊࣉࣟࢲࢡࢩࣙࣥࣛࣥࡢⅭࡢ‽ ഛࡀᩚࡗࡓ⪃࠼࡚࠸ࡿࠋ ᅛయࢩࣜࢥࣥࡢࢸࢫࢺ⣔࡛ィ⟬᮲௳ࡀᑡࡋ⦆࠸ሙྜᑐࡋ࡚ࠊ㸯㸮㸮ཎᏊ ヨ㦂⏝ࡼࡿ ⣔ࡢィ⟬ࡲ࡛⾜࠸ࠊ㸯MD ࢫࢸࢵࣉࡢ㛫ࢆ༑ศ▷ࡃ࡛ࡁࡿࡇࢆ☜ㄆࡋࡓࠋ ᡂᯝᴫせ 㸦ᅗࡢῧྍ㸧 ᅗ㸯㸸ᅛయࢩࣜࢥࣥᑐࡍࡿி㏿ࢥࣥࣆ࣮ࣗࢱ࡛ࡢィ⟬㛫ࠋ 㸦ᕥᅗ㸸strong scalingࠋ ྑᅗ㸸weak scaling ࡢ⤖ᯝ㸧 ⌧ᐇࡢ⯆࠶ࡿ⣔ᑐࡍࡿ㉸つᶍ➨୍ཎ⌮ィ⟬ࢆᐇ⌧ࡍࡿࠋ ᩘࡽᩘ༑ཎᏊ⣔ᑐࡍࡿ➨୍ཎ⌮ィ⟬ࡼࡿᵓ㐀᭱㐺ࠊศᏊືຊᏛࢆ ᚋࡢィ⏬ࠊᒎᮃ ⾜࠸ࠊⓒཎᏊ⣔ᑐࡍࡿᵓ㐀᭱㐺ࢆྍ⬟ࡍࡿࠋ 㸦ࢸࢫࢺ⣔࡛ࡣ࡞ࡃࠊ⌧ᐇ ࡢ◊✲ࡢ࠾ࡅࡿୡ⏺᭱ࡢ➨୍ཎ⌮ィ⟬ࢆᐇ⌧ࡍࡿࠋ 㸧 Ꮫ⾡㞧ㄅ '5%RZOHUDQG70L\D]DNL͆21PHWKRGVLQHOHFWURQLFVWUXFWXUH FDOFXODWLRQV͇ 5HSRUWV RQ 3URJUHVV LQ 3K\VLFV YRO 1R 0DU㸦⾲⣬㸧 7 2WVXND DQG 7 0L\D]DNL ͆$ TXDQWXP FKHPLVWU\ VWXG\ 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᭷⏣㏻ᮁࠊᐑᓮ๛ࠕ࣮࢜ࢲ࣮1 ἲࢆ⏝࠸ࡓつᶍ➨୍ཎ⌮ィ⟬㸸ࢼࣀᵓ㐀≀㉁ࠊ ᕧ⏕యศᏊᑐࡍࡿ➨୍ཎ⌮ィ⟬ࠖࠊ⢭ᐦᕤᏛᑓ㛛ጤဨㄅࠕ㉸⢭ᐦࠖ㸯 㸶ࠊS 49 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ۑᑠ㔝ஓ ࠊ0DUFXV+HLGHࠊ㰺⸨ṇ୍ᮁ ࠊỤୖ႐ᖾ ᡤᒓ㸦ဨศ㸧 㜰ᏛᏛ㝔ᕤᏛ◊✲⛉ࠊ 㛗ᓮᏛ⌧ᾏ㐨Ꮫ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 RQR#SUHFHQJRVDNDXDFMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ ᖺ ᭶ ᪥ 㹼 ᖹᡂ ᖺ ᭶ ᪥ 50 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻつᶍ 563$&( ࣀ࣮ࢻ ㏆ᖺࡢ༙ᑟయࢹࣂࢫࡸග㏻ಙࢹࣂࢫࡣࠊᚤ⣽ࡼࡗ࡚㧗ᛶ⬟ࢆ㐩ᡂࡋ ࡚ࡁࡓゝࡗ࡚ࡶ㐣ゝ࡛ࡣ࡞࠸ࠋࡇࢀࡲ࡛ᚤ⣽ࡢ㝈⏺ࡀᗄᗘ࡞ࡃᠱᛕࡉࢀ ࡚ࡁࡓࡀࠊࡑࡢቨࢆᡴࡕ◚ࡾ㧗ᛶ⬟ࢆᐇ⌧ࡋ࡚ࡁࡓࠋ⌧ᅾࠊࡑࡢࢧࢬࡣᩘ ࢼࣀ࣓࣮ࢺࣝ㐩ࡋ࡚࠸ࡿࠋࡇࡢࡼ࠺࡞ࢫࢣ࣮ࣝࡢ≀⌮⌧㇟ࢆไᚚࡍࡿࡣࠊ ࢼࣀࢫࢣ࣮ࣝࢧࢬ࡛ࡢ≀㉁ࡢᚤどⓗୡ⏺ࡢᇶᮏἲ๎ᇶ࡙ࡁ⌮ゎࡍࡿࡇࡀ 㔜せ࡛࠶ࡿࡇࡣゝ࠺ࡲ࡛ࡶ࡞࠸ࠋᮏ◊✲࡛ࡣࠊ➨୍ཎ㟁Ꮚ≧ែ࣭㔞Ꮚ㍺㏦≉ ᛶࢩ࣑࣮ࣗࣞࢩࣙࣥࡢࡓࡵࡢ᪂ࡋ࠸ィ⟬ᡭἲ࠾ࡼࡧࡑࢀᇶ࡙࠸ࡓィ⟬ࢥ࣮ࢻ ⫼ᬒࠊ┠ⓗ RSPACE ࡢ㛤Ⓨࢆ⾜࠸ࠊ(1)ࢺࣛࣥࢪࢫࢱࡢ⤯⦕⭷/ᇶᯈ⏺㠃ࢆὶࢀࡿ࣮ࣜࢡ㟁 ὶࡸࢳࣕࢿࣝ㟁ὶࡢゎᯒࠊ (2)ศᏊࡸࢼࣀࢳ࣮ࣗࣈࠊࣇ࣮ࣛࣞࣥ㙐࡞ࡢ㔞Ꮚ ㍺㏦≉ᛶࡢண ࠊ(3)ࢺࣥࢿࣝ☢Ẽ᥋ྜ࡞⤯⦕యࡲࡓࡣ༙ᑟయ/ᙉ☢ᛶᮦᩱ⏺㠃 ࠾ࡅࡿ⏺㠃ࡢ㟁Ꮚ≧ែࢫࣆࣥ㍺㏦≉ᛶࡢホ౯ࠊ(4)ࢼࣀᵓ㐀ࡢᣢࡘ᪂ᶵ⬟ࡢ ᥈⣴ࡸ㠉᪂ⓗ࡞ᶵ⬟ࢆⓎ⌧ࡍࡿࢼࣀ≀㉁࣭ᵓ㐀ࡢタィࢆ⾜࠺ࠋ≉ࠊ㏆ᖺ✚ᴟ ⓗ㛤Ⓨࡀ㐍ࡵࡽࢀ࡚࠸ࡿ㉸୪ิᆺࢫ࣮ࣃ࣮ࢥࣥࣆ࣮ࣗࢱ࡛ࡢᐇ⾜ࢆᛕ㢌⨨ ࠸ࡓィ⟬ᡭἲ࣭ࢥ࣮ࢻࡢ㛤Ⓨࢆ⾜࠸ࠊつᶍࢩ࣑࣮ࣗࣞࢩࣙࣥࡢᐇ⌧ࢆ┠ᣦࡍࠋ ࡑࡋ࡚ࠊࢩ࣑࣮ࣗࣞࢩࣙࣥࡼࡾᚓࡽࢀࡓ▱ぢࢆᐇ㦂ࣇ࣮ࢻࣂࢵࢡࡍࡿࡇ ࡼࡾࠊ᪂ࡓ࡞ࢼࣀࢹࣂࢫࡢ㛤Ⓨ㈉⊩ࡍࡿࡇࢆ┠ⓗࡍࡿࠋ RSPACE ࡣࠊᐦᗘỗ㛵ᩘ⌮ㄽᇶ࡙࠸࡚㟁Ꮚ≧ែ࣭㍺㏦≉ᛶィ⟬ࢆ⾜࠺ࠋᚑ᮶ ࡼࡃࢃࢀࡿ᪉ἲ࡛ࡣἼື㛵ᩘࢆᇶᗏ㛵ᩘ࡛ᒎ㛤ࡋ࡚࠸ࡿࡀࠊRSPACE ࡛ࡣᐇ ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 ✵㛫ࢢࣜࢵࢻୖࡢἼື㛵ᩘࡢ್ࢆ┤᥋ィ⟬ࡍࡿࠋᇶᗏ㛵ᩘࡼࡿቃ⏺᮲௳ࡢไ ⣙ࡀ࡞࠸ࡓࡵࠊィ⟬㡿ᇦࡢ୧➃༙↓㝈⥆ࡃ㟁ᴟࢆྲྀࡾࡅࡓィ⟬ࣔࢹࣝࢆ ⏝࠸ࡓ㍺㏦≉ᛶィ⟬ࡶྍ⬟࡛࠶ࡿࠋࡲࡓࠊィ⟬⢭ᗘࡣࠊࢢࣜࢵࢻᖜࢆᑠࡉࡃࡍ ࡿࡇࡼࡾྥୖࡍࡿࡓࡵࠊཎᏊἼື㛵ᩘᒎ㛤ἲࡢࡼ࠺ᇶᗏ㛵ᩘࡢᛶ 㛵ࡍࡿၥ㢟ࡶ࡞࠸ࠋࡉࡽࠊᖹ㠃Ἴᒎ㛤ἲࡢࡼ࠺ࣇ࣮࢚ࣜኚࢆከ⏝ࡋ࡞࠸ ࡓࡵࠊ㉸୪ิィ⟬㐺ࡋࡓࣝࢦࣜࢬ࣒࡞ࡗ࡚࠸ࡿࠋ ࢺ࣮ࣛࣝࣘࢫᮇ㛫ࡢࢳ࣮ࣗࢽࣥࢢࡼࡾࠊ3840 ࣀ࣮ࢻࢆ⏝࠸࡚ 10240 ಶ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ࡢཎᏊࡽ࡞ࡿ Si ⤖ᬗࡢࣔࢹࣝࢆィ⟬ࡋࡓሙྜࠊࣆ࣮ࢡᛶ⬟ᑐࡍࡿᐇ⾜ຠ⋡ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ ࡀ 30%ࠊ1920 ࣀ࣮ࢻࡢሙྜᑐࡍࡿࢫࢺࣟࣥࢢ୪ิຠ⋡ࡀ 95%࡛࠶ࡗࡓࠋ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ 㒊ศ✵㛫࡛ࡢἼື㛵ᩘࡢᑐゅ┤㛵ࡍࡿィ⟬㔞ࡣࠊࣔࢹࣝࢧࢬࡢ 3 ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ ẚࡍࡿࡓࡵࠊࡇࡢ㒊ศࡀつᶍィ⟬ྥࡅ࡚ࡢㄢ㢟࡞ࡿࠋࡇࡢ࠺ࡕࠊ グ㍕ୗࡉ࠸ࠋ 㸧 ከࡃࡣ DGEMMࠊZGEMM ࡢ⧞ࡾ㏉ࡋ࡛࠶ࡿࡓࡵࠊᐇ⾜ຠ⋡ࡢྥୖ㈉⊩ࡍ 㸦ᅗࡢῧྍ㸧 ࡿࠋ୍᪉ࠊṧࡾࡢ㒊ศࡣつᶍᅛ᭷್ၥ㢟࡞ࡿࡓࡵࠊ㧗㏿ᅛ᭷್ࢯࣝࣂ࣮ࡢ ᑟධࡀᚲせ࡛࠶ࡿࠋ 51 添付資料 3 ῧ㈨ᩱ RSPACE ࢆ⏝࠸࡚㟁Ꮚࢹࣂࢫ⏝ࡢ SiC/SiO2 ⏺㠃ࡢ⏺㠃Ḟ㝗࣮ࣜࢡ࣭ࢳࣕ ࢿࣝ㟁ὶࡢ┦㛵ࢆㄪࠊ㧗ᶵ⬟⏺㠃ࢆࢹࢨࣥࡍࡿࡇࢆ᭱⤊㐩ᡂ┠ᶆࡋ࡚ ࠸ࡿࠋ⇕㓟ࡼࡾᙧᡂࡉࢀࡓ SiC/SiO2 ⏺㠃ࡢཎᏊᵓ㐀ࡘ࠸࡚ࡣࠊ⏺㠃࡛ࡢ ヨ㦂⏝ࡼࡿ C ཎᏊࡢศᕸ㛵ࡋ࡚┦ࡍࡿᐇ㦂⤖ᯝࡀሗ࿌ࡉࢀ࡚࠸ࡿࠋࢺ࣮ࣛࣝࣘࢫ ᡂᯝᴫせ ᮇ㛫୰ࠊSiO2 ࣂࣝࢡ୰ࡢṧ␃ C ཎᏊࡢᵓᡂ࢚ࢿࣝࢠ࣮ CO ศᏊࡋ࡚Ẽ┦ 㸦ᅗࡢῧྍ㸧 ୰ᨺฟࡉࢀࡿྍ⬟ᛶࢆㄪࡓࠋィ⟬ࡢ⤖ᯝࡼࡾࠊṧ␃ C ཎᏊࡣẼ┦୰ᨺฟ ࡉࢀࡿྍ⬟ᛶࡀᴟࡵ࡚ప࠸ࡇࡀศࡗࡓࠋࡇࡢィ⟬⤖ᯝࡣࠊᚋࡢ୍⯡⏝࡛ ⾜ࢃࢀࡓ⏺㠃ࡽࡢ CO ศᏊᨺฟࡢィ⟬⤖ᯝ⤌ࡳྜࢃࡏࡿࡇࡼࡾࠊ⏺㠃 ㏆వ࡞ C ཎᏊࡀᏑᅾࡋ࡞࠸࠸࠺ᐇ㦂⤖ᯝࢆᨭᣢࡍࡿࡶࡢ࡛࠶ࡿࠋ SiC ࡣࣃ࣮࣡ࢹࣂࢫᮦᩱࡋ࡚ᮇᚅࡉࢀ࡚࠸ࡿࡀࠊ࢟ࣕࣜࡢ⛣ືᗘࡀᮇᚅ ࡉࢀࡓ⛬ࡁࡃ࡞࠸࠸࠺ࡇࡀၥ㢟࡞ࡗ࡚࠸ࡿࠋRSPACE ࢆ⏝࠸࡚⏺㠃ࡢ ᚋࡢィ⏬ࠊᒎᮃ つᶍ㟁Ꮚ≧ែ࣭㍺㏦≉ᛶィ⟬ࢆ⾜࠺ࡇࡼࡾࠊ࢟ࣕࣜ⛣ືᗘࢆపୗࡉࡏ ࡿ⏺㠃Ḟ㝗ࡢྠᐃ࢟ࣕࣜ⛣ືᗘࢆྥୖࡉࡏࡿ᪉ἲࢆᥦࡍࡿࠋࡲࡓࠊSiC ௨እࡢᮦᩱࢆ⏝࠸ࡓࢹࣂࢫࡢࢹࢨࣥࡶᛂ⏝ࡋ࡚࠸ࡃࠋ 1. Tomoya Ono: First-principles transport calculation method using real-space finite-difference NEGF scheme, International Symposium on ㄽᩥࠊㅮ₇ࠊ ࡑࡢฟ∧≀ Computics: Quantum Simulation and Design (ISC-QSD), (October 11-13, 2012, 㜰). 2. 㰺⸨ ṇ୍ᮁ㸪᳃ᕝ Ⰻᛅ㸪ᑠ㔝 ஓ: ➨୍ཎ⌮ィ⟬ࡼࡿ 4H-SiC(0001) 㠃ࡽࡢ C ཎᏊᨺฟ㐣⛬ࡢゎ᫂㸪➨ 18 ᅇࢤ࣮ࢺࢫࢱࢵࢡ◊✲㸪(Jan. 25-26, 2013, ࢽ࣮࢙ࣗ࢘ࣝࢩࢸἙཎ). 52 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ۑಙᐃඞᖾ㸯ࠊ㔝⏣┿ྐ㸯ࠊ▮ⰼ୍ᾈ㸰ࠊబ⸨㥴㸰 ᡤᒓ㸦ဨศ㸧 㸯㸧ศᏊ⛉Ꮫ◊✲ᡤࠊ㸰㸧⟃ἼᏛ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 QREXVDGD#LPVDFMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ 㸰㸱ᖺ 㸵᭶ 㸰㸯᪥ 㹼 ᖹᡂ 㸰㸲ᖺ 㸷᭶ 㸱㸮᪥ 53 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ 3,48$1'< ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻつᶍ ᭱ ࣀ࣮ࢻ㸦 ࢥ㸧 ග࢚ࢿࣝࢠ࣮ఏࠊ㔞Ꮚࢹ࣮ࢱ㌿㏦ࠊගゐ፹స⏝➼ࡢග࣭㟁Ꮚᶵ⬟ࢆᣢࡘḟ ⫼ᬒࠊ┠ⓗ ୡ௦㔞Ꮚࢹࣂࢫ㛤Ⓨ㈨ࡍࡿᇶ♏ⓗ▱ぢࢆᚓࡿࡓࡵࠊࢼࣀᵓ㐀యࡢᐇ㛫 ගㄏ㉳㟁Ꮚࢲࢼ࣑ࢡࢫࡢ➨୍ཎ⌮ィ⟬ࢆ⾜࠺ࠋ 㛫౫Ꮡ .RKQ6KDP ᪉⛬ᘧࢆᐇ㛫࣭ᐇ✵㛫ࢢࣜࢵࢻ࠾࠸࡚ᕪศἲ࡛ゎࡃ ᡭἲࢆ⏝࠸࡚ࠊගㄏ㉳㟁Ꮚࢲࢼ࣑ࢡࢫࡢᩘ್ⓗゎ᫂ࢆ⾜࠺ࠋ࢚ࢿࣝࢠ࣮␃ ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 ್ࢆồࡵࡿࡓࡵࠊඹᙺ໙㓄ἲ ',,6 ἲࢆే⏝ࡋ࡚᮰ゎࢆຠ⋡ⓗồࡵࡿ ᡭἲࢆ᥇⏝ࡋࠊ࣏ࢯࣥ᪉⛬ᘧࢆඹᙺ໙㓄ἲ࡛ゎࡃ㝿ࡢከᴟᏊᒎ㛤ࡢ᭱㐺ࠊ ྍኚィ⟬ࢢࣜࢵࢻࡢ᥇⏝➼ࢆ⾜࠸ࠊຠ⋡ⓗ࡞ᩘ್ィ⟬ࢆᐇ⾜ࡍࡿࡇࡀྍ⬟࡛ ࠶ࡿࠋ03, 2SHQ03 ࢆే⏝ࡋࡓࣁࣈࣜࢵࢻ୪ิࢆ᥇⏝ࡋࠊ.RKQ6KDP ㌶㐨ཬ ࡧィ⟬✵㛫࣓ࢵࢩࣗ㛵ࡍࡿ୪ิࢆ⾜࠺ࠋ ᭱⤊ⓗࡣ᭱ ࣀ࣮ࢻ㸦 ࢥ㸧ࡢᐇᶵ✌ാᡂຌࡋࡓࠋ ࣀ࣮ࢻ⛬ᗘࡲ࡛࡛࠶ࢀࡤ ⛬ᗘ௨ୖࡢ㏿ᗘྥୖ⋡ࠊ୍㒊ࣝࢦࣜࢬ࣒㛵ࡋ ࡚ࡣ ⛬ᗘࡢᐇ⾜ᛶ⬟ࢆฟࡍࡇࡀ࡛ࡁࡓࠋ᭱ࡢ ࣀ࣮ࢻ࡛ࡣࠊᐇ⾜ ᛶ⬟ࡣ㸵ࠥ㸶⛬ᗘ࡛࠶ࡿࡀࠊࡇࢀࡣࣀ࣮ࢻᩘቑక࠸ࠊศࡉࢀࡓィ⟬✵㛫 ࡢᩘࡀቑࡋࠊ⤖ᯝⓗ㏻ಙ㔞ࡀቑ࠼ࡿࡓࡵ࡛࠶ࡿࠋලయⓗࡣࠊ࣏ࢯࣥ᪉ ⛬ᘧࢆඹᙺ໙㓄ἲ࡛ゎࡃ㝿ᕪศἲࡢศⅬᩘࡀከ࠸ࡇࠊࡑࢀక࠺㞄᥋㏻ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ಙࡢቑࠊከᩘಶࡢィ⟬✵㛫ศ㓄ࡉࢀ࡚࠸ࡿ㟁Ꮚᐦᗘࢆᥙࡁ㞟ࡵࡿࡓࡵࡢ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ య㏻ಙࡢቑࡀ㢧ⴭ⌧ࢀࠊ㉸୪ิィ⟬ᑐࡍࡿ࣎ࢺࣝࢿࢵࢡ࡞ࡿࡇࡀ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ ศࡗࡓࠋ≉ࠊ㟁Ꮚᐦᗘࢆᥙࡁ㞟ࡵࡿࡓࡵせࡍࡿయ㏻ಙࡣࠊࣀ࣮ࢻᩘࡢ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ ቑຍඹ㢧ᅾࡋࠊయィ⟬㛫ࡢ 㸣⛬ᗘ㐩ࡍࡿࡓࡵࠊ᭱ࡢ࣎ࢺࣝࢿ グ㍕ୗࡉ࠸ࠋ 㸧 ࢵࢡ࡞ࡗ࡚࠸ࡿࠋ㏻ಙ᪉ἲࡢ᭱㐺ࢆ⾜࠸ࠊᨵၿດࡵ࡚࠸ࡿࠋ 㸦ᅗࡢῧྍ㸧 ᭶ୗ᪪ࡽࡢඹ⏝㛤ጞᚋࡢி୍⯡⏝ᯟࡶ᥇ᢥࡉࢀࠊ᭦࡞ࡿ୪ิࢆ㐍 ࡵ࡚࠸ࡿ㏵୰࡛࠶ࡿࠋ 54 添付資料 3 ῧ㈨ᩱ ᖹᡂ㸰㸱ᖺ㸵᭶ࡽ㛤ጞࡋࡓ㉸୪ิィ⟬ྥࡅࡓࣉࣟࢢ࣒ࣛ㛤Ⓨࡣ╔ᐇ㐍 ࢇ࡛࠸ࡿࠋ㉸୪ิィ⟬ࣉࣟࢢ࣑ࣛࣥࢢࡢ࣎ࢺࣝࢿࢵࢡ࡞ࡗ࡚࠸ࡿ⟠ᡤࡶලయ ⓗ✺ࡁṆࡵ࡚࠾ࡾࠊᚋࡶ୍ࡘࡎࡘၥ㢟Ⅼࢆᨵၿࡍࡿ┠ฎࡀぢ࠼࡚࠸ࡿࠋ ࣉࣟࢲࢡࢺࣛࣥ㛵ࡋ࡚ࡣࠊ㸰㸮ࢥࣞ࣋ࣝࡢつᶍィ⟬ࡀྍ⬟࡞ࡗࡓ ࡓࡵࠊ༑ᩘࢼࣀ࣓࣮ࢺࣝࢆ㉸࠼ࡿࢼࣀᵓ㐀యࡢගㄏ㉳㟁Ꮚࢲࢼ࣑ࢡࢫࡢィ ⟬ࡀྍ⬟࡞ࡗࡓࠋ& ᅛయᑐᛂࡍࡿ㠃ᚰ❧ἲ᱁Ꮚࣘࢽࢵࢺࡢග྾ࢫ࣌ࢡࢺ ヨ㦂⏝ࡼࡿ ᡂᯝᴫせ 㸦ᅗࡢῧྍ㸧 ࣝࡢィ⟬ࢆ⾜࠸ࠊᐇ㦂್ࡶ༑ศẚ㍑ࡋᚓࡿ⤖ᯝࡀࡰฟᥞࡗ࡚࠸ࡿࠋࡇࡢ ◊✲⤖ᯝࡣࠊ㟁Ꮚࢲࢼ࣑ࢡࢫࡢ㉸୪ิィ⟬ᡂᯝࡋ࡚ሗ࿌ࡍࡿࡓࡵࠊᏛ⾡ ㄽᩥࢆᇳ➹୰࡛࠶ࡿࠋ⌧≧࡛ࡣࠊ࡛᭱ᩘ༓ཎᏊᩘ⛬ᗘࠊࠥ 㟁Ꮚ ᩘ⛬ᗘࡢࢼࣀᵓ㐀యࡢ㟁Ꮚࢲࢼ࣑ࢡࢫィ⟬ࡣᐇ⾜ྍ⬟࡞≧ἣ࡛࠶ࡾࠊࡇࡢࢧ ࢬࡢᐇᅾ⣔ࢼࣀᵓ㐀యࡢບ㉳≧ែィ⟬ࢆᐇ⾜࡛ࡁࡿ◊✲ࢢ࣮ࣝࣉࡣୡ⏺ⓗ ぢ࡚ࡶ㠀ᖖ㝈ࡽࢀ࡚࠸ࡿࠋࡇࡢࢻࣂࣥࢸ࣮ࢪࢆ᭱㝈⏝ࡋ࡚ࠊග࣭㟁 Ꮚᶵ⬟ᛶࢹࣂࢫࡢ⌮ㄽタィࡢィ⟬ࢆ㐍ࡵ࡚࠸ࡿ᭱୰࡛࠶ࡿࠋࡲࡓࠊග≀㉁ ࡢ┦స⏝ࢆࡼࡾṇ☜グ㏙ࡍࡿࡓࡵࠊ㟁Ꮚࢲࢼ࣑ࢡࢫ㟁☢ሙࢲࢼ࣑ ࢡࢫࡢ㟢࡞࢝ࢵࣉࣜࣥࢢࢆྲྀࡾ㎸ࢇࡔᩘ್ィ⟬ᡭἲࡢ㛤Ⓨࡶ㐍ࡵࡓࠋලయⓗ ࡣ⌧ᅾ㐍ࡵ࡚࠸ࡿ㟁Ꮚࢲࢼ࣑ࢡࢫἲ࣐ࢡࢫ࢙࢘ࣝ᪉⛬ᘧࢆゎࡃࡓࡵࡢ࣮ࣝ ࢳࣥࡢᐇࢆ㐍ࡵ࡚࠸ࡿࠋ ୍␒ࡢ࣎ࢺࣝࢿࢵࢡ࡞ࡗ࡚࠸ࡿ㌶㐨ࡽ㟁Ꮚᐦᗘࢆィ⟬ࡍࡿ࣮ࣝࢳࣥక ࠺య㏻ಙࡢቑࡣࠊࣀ࣮ࢻ㛫ࡢ࣮ࣟࢻࣂࣛࣥࢫࡢᖹࡸ㏻ಙ᪉ἲࡢኚ᭦ࢆ ᚋࡢィ⏬ࠊᒎᮃ ⾜࠸ࠊ㏿ᗘྥୖ⋡ཬࡧᐇຠᛶ⬟ࡢᨵၿࢆヨࡳࡿࠋᇶᮏ㦵᱁ࡢ㉸୪ิ㟁Ꮚࢲࢼ ࣑ࢡࢫࣉࣟࢢ࣒ࣛࡣᡂࡋ࡚࠾ࡾࠊ᭦࡞ࡿࢳ࣮ࣗࢽࣥࢢྠࣉࣟࢲࢡࢺࣛ ࣥࢆቑࡸࡍணᐃ࡛࠶ࡿࠋ⾲㠃ࣉࣛࢬ࣏ࣔࣥࣛࣜࢺࣥࡢ࢚ࢿࣝࢠ࣮ఏࡸග࢚ࢿ ࣝࢠ࣮ኚࢹࣂࢫࡢ⌮ㄽࢩ࣑࣮ࣗࣞࢩࣙࣥࢆ⾜࠺ணᐃ࡛࠶ࡿ K. Nobusada, “Near-Field Excitation in Nanostructure Arrays: Electron and Electromagnetic Field Fully-Coupled Dynamics”, The 2nd Sweden-Japan Workshop onNanophotonics and Related Technologies, 2012.6.18-19, Kista, Sweden, Invited talk 6.19 ㄽᩥࠊㅮ₇ࠊ K. Nobusada, “Near-Field Excitation Dynamics in Nanostructures: ࡑࡢฟ∧≀ Nonuniform and Self-Consistent Light Matter Interaction”, Material Simulation in Petaflops era 2012, 2012.7.2, ISSP, Kashiwa, Chiba, Japan, Invited Talk 7.2 ⌧ᅾࠊ㉸୪ิ㟁Ꮚࢲࢼ࣑ࢡࢫἲࡢᏛ⾡ㄽᩥࢆᇳ➹୰ 55 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ๓ᅬᾴ ᡤᒓ㸦ဨศ㸧 㝣ඛ➃⛉Ꮫᢏ⾡Ꮫ㝔Ꮫ࣭ሗ⛉Ꮫ◊✲⛉ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 UPDH]RQR#PDFFRP ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ㸰㸲ᖺ㸲᭶㸯᪥ 㹼 ᖹᡂ㸰㸲ᖺ㸷᭶㸱㸮᪥ 56 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻつᶍ &$6,12 ࣀ࣮ࢻ ࢥ ಙ㢗ᛶࡢ㧗࠸ᐇ⏝ⓗ㟁Ꮚ≧ែィ⟬ᡭἲ࡛࠶ࡿ㔞Ꮚࣔࣥࢸ࢝ࣝࣟ㟁Ꮚ≧ែィ⟬ࣃ ⫼ᬒࠊ┠ⓗ ࢵࢣ࣮ࢪࠕ&$6,12ࠖࢆࠊிࢥࣥࣆ࣮ࣗࢱୖࡢᩘ୪ิつᶍ࡛㧗ᛶ⬟࣭㧗୪ิຠ ⋡ࢆᐇ⌧ࡉࡏࠊ⌧ᐇ≀㉁ࡢ㐺⏝㧗࠸ᐇ⏝ᛶࢆ㐩ᡂࡍࡿࢆ┠ⓗࡍࡿࠋ 㔞Ꮚᣑᩓࣔࣥࢸ࢝ࣝࣟἲࡼࡿ㟁Ꮚ≧ែィ⟬ἲ࡛ࠊᶍᆺ⌮ㄽᑐ㇟࡛ࡣ࡞ࡃࠊཎ Ꮚ᰾࣏ࢸࣥࢩࣕࣝࡢ➨୍ཎ⌮グ㏙ࡼࡿ㠀୍ᵝ㟁Ꮚ⣔ࡢከయἼື㛵ᩘ⌮ㄽࢩ࣑ ࣮ࣗࣞࢩࣙࣥᡭἲ࡛࠶ࡿࠋᅛయ࿘ᮇ⣔ࡣࠊ࿘ᮇቃ⏺᮲௳ࡋ࡚ྲྀࡾᢅࢃࢀࠊᖹ ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 㠃Ἴᇶᗏࠊ࠶ࡿ࠸ࡣࢫࣉࣛࣥᇶᗏࡼࡿᇶᗏ㛵ᩘᒎ㛤ࢆ⏝࠸ࡿࠋ㔞Ꮚࣔࣥࢸ ࢝ࣝࣟィ⟬ࡣᐈほⓗಙ㢗ᛶඃࢀࡿࡶࡢࡢ⤫ィ✚ࡼࡿᡭἲ࡛࠶ࡾࠊ⤫ィㄗ ᕪࢆᏛⓗせồࡉࢀࡿ⢭ᗘࡲ࡛⤠ࡾ㎸ࡴᚲせࡀ࠶ࡿࠋఱ൨ᅇ࠸࠺✚ࢆ ࢩࣥࢢࣝࢫࣞࢵࢻ࡛⾜࠺ࡣᐇୖྍ⬟࡛ࠊ03, つᶍ୪ิࢆ⏝࠸࡚㏆ᖺࠊ ᐇ⏝ࡢᇦ㐩ࡋࡓᡭἲ࡛࠶ࡿࠋᅜ㝿ⓗࡣ ࢥࡢࣇࣛࢵࢺ 03, ୪ิࡢᐇ⦼ ࡀ࠶ࡿࠋ ୪ิ⛬ᗘࡢሙྜࠊᩘࣨ᭶ࡢ⤫ィ✚㸦ᩘⓒࢫࢸࢵࣉ㸧ࢆᚲせࡍ ࡿࠋ ᙜヱ㛤Ⓨᮇ㛫ඛ❧ࡘ⏝ᮇ㛫୰ࡣࠊࣥࢫࢺ࣮ࣝᡭ㡰ࡸࣛࣈࣛࣜࡢㄪᩚ ࡞ࠊCASINO ࡢ㐠⏝㛵ࡍࡿୗ‽ഛࢆࡋࠊᙜヱᮇ㛫୰ࡣࠊ༢యᛶ⬟ 㛵ࡍࡿࢳ࣮ࣗࢽࣥࢢഴὀࡋࡓࠋィ⟬ࡢᑐ㇟ࡋ࡚ࡣࠊࡼࡾ⌧ᐇⓗ࡞⏝ ㏆࠸ࠊ༙ᑟయ TiO2/333 ࡢ⣔࡛ᛶ⬟ィ ㄪᩚࢆ⾜ࡗࡓࠋ୪ิᛶ⬟ࡣࠊᙜヱᮇ 㛫୰ࡲ࡛ࠊࢫࢺࣟࣥࢢ࣭ࢫࢣ࣮ࣜࣥࢢ࡚ࠊ95.8ࠥ100.0%㸦578 ࢥ୪ิ࡛ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ グ㍕ୗࡉ࠸ࠋ 㸧 㸦ᅗࡢῧྍ㸧 ཧ↷್ࡢ㑅ᐃࡼࡾኚ㸧 ࠊ࣮࢘ࢡ࣭ࢫࢣ࣮ࣜࣥࢢ࡛ࡣࠊ98.1ࠥ100.0%ࢆ㐩 ᡂࡋࡓࠋ༢యᛶ⬟࠾ࡅࡿࣆ࣮ࢡᛶ⬟ẚࡣࠊᙜヱᮇ㛫⤊ࡲ࡛ 40%㉸ࢆ㐩ᡂ ࡋ࡚࠸ࡿࡀࠊࡇࡢᩘ್ࡀ㐩ᡂࡉࢀ࡚࠸ࡿ⟬ἲ㒊ศ㸦」⣲࣋ࢡࢺࣝࡢෆ✚ィ⟬㸧 ࡢ⟬ἲᵓ㐀ࡽ⪃࠼࡚ࠊࡇࡢ㐩ᡂ್ࡣ㧗ࡍࡂࡿࡢ࡛ࡣ࡞࠸࠸࠺ᣦࢆཷࡅࠊ ࡑࡢㄪᰝ᳨ドഴὀࡋࡓࠋᢸᙜࡢࢩࢫࢸ࣒࢚ࣥࢪࢽ⥥ᐦ┦ㄯࢆ㔜ࡡࠊ ࣛࣈࣛࣜࡢ⨨ࡸࠊࢱ࣐࣮ᤄධࠊࣉࣟࣇࣛࡢ࠸ศࡅ࡞ࠊྛ✀ㄪᰝ ࢆ㔜ࡡࡓࡀࠊィ ࡉࢀࡿࣆ࣮ࢡᛶ⬟್ࡣࡁ࡞ኚࢆぢ࠸ࡔࡍࡣ࡞ࡃࠊ௨ 㝆ࡣṈࡢࡣᣊἾࡏࡎࠊ୪ิ࡛ࡢᛶ⬟ィ ㍈㊊ࢆ⛣ࡋࡓࠋ 57 添付資料 3 ῧ㈨ᩱ ᙜヱᮇ㛫୰ࡣࠊୖグࡢ㏻ࡾࡢ⤒⦋࡚ࠊ༢య࡛ࡢࣆ࣮ࢡᛶ⬟್ࡢィ ഴὀࡋࠊ 40%㉸ࡢࣆ࣮ࢡᛶ⬟್ࡀ༢య⏝࡛ྛ✀᳨ドࡽᐇドࡉࢀࡓ࠸࠺ࡀ୍ࡘ┠ ࡢᡂᯝࡋ࡚࠶ࡆࡽࢀࡿࠋᙜヱᮇ㛫࠾࠸࡚ࡣࠊࣉࣟࢲࢡࢺࣛࣥࡢᢞධࡣ⾜ࢃ ࡎࠊࡇࢀྥࡅࡓ⎔ቃᩚഛ᳨ドഴὀࡋࡓࠋࡘ┠ࡢᡂᯝࡋ࡚ࡣࠊᙜヱᮇ 㛫୰ᑟධࡉࢀࡓࢫࢸ࣮ࢪࣥࢢ㐠⏝࡞ᛂࡋࡓᙜヱࢥ࣮ࢻࡢ㐠⏝యไࢆ☜ ❧ࡋࠊᙜヱᮇ㛫⥆ࡃ୍⯡බ㛤⏝ᮇ㛫࡛ࡢ㧗࠸୪ิᛶࢆ᳨ドࡍࡿ⯙ྎࢆᩚഛ ࡋࡓ࠸࠺ࡀ࠶ࡆࡽࢀࡿࠋྲྀࡾ⤌ࡳⅬ࠾࠸࡚ࡣࠊᙜヱࢥ࣮ࢻࠕCASINOࠖ ヨ㦂⏝ࡼࡿ ࡣࢫࢸ࣮ࢪࣥࢢ㐠⏝ࢆᐃࡋࡓ㐠⏝ࢫࢡࣜࣉࢺࡣᩚഛࡉࢀ࡚࠾ࡽࡎࠊࡇࢀ ᡂᯝᴫせ ᛂࡋࡓつᶍ࡞ᨵኚࢆ⾜࠺ᚲせࡀ࠶ࡗࡓࠋᙜヱᮇ㛫୰ிࢥࣥࣆ࣮ࣗࢱࢩࢫࢸ 㸦ᅗࡢῧྍ㸧 ࣒ഃ࡛ሗ࿌ࡉࢀࡓࠊࢪࣙࣈᢞධ࢜ࣉࢩࣙࣥ࡞ࡢᣦᐃ㛵ࡍࡿᗄࡘࡢࣂࢢ ᛂࡍࡿᙧ࡛ࠊCASINO ࡢ㐠⏝ࢫࢡࣜࣉࢺࢆ㝶ᨵゞࡋࠊ⥆ࡃ୍⯡බ㛤⏝ᮇ 㛫࡛ࡢ㧗࠸౽ᛶࠊᩘ୪ิつᶍ࡛ࡢࣉࣟࢲࢡࢺࣛࣥᐇ⌧ྥࡅࡓᇶ┙ᩚഛ ࡀࡋࡓࠋ ᙜヱᮇ㛫⥆ࡃ୍⯡බ㛤⏝ᮇ㛫࡛ࡣࠊᩘ୪ิつᶍ࡛ࡢࣉࣟࢲࢡࢺࣛࣥࡋ ᚋࡢィ⏬ࠊᒎᮃ ࡚ࠊ㧗࠸ィ⟬ࢥࢫࢺࡀせồࡉࢀࡿつᶍศᏊ⤖ᬗ⣔ࡢ࣑ࢡࣟᵓ㐀ྠᐃࡢ㐺⏝ ྲྀࡾ⤌ࡴ ࣭๓ᅬᾴࠕ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࢆ⏝࠸ࡓ㟁Ꮚ≧ែィ⟬ࠖࠊ+3&,ᡓ␎ࣉࣟࢢ࣒ࣛ ศ㔝㸰ศ㔝㸳␗ศ㔝ὶ◊✲ࠊᮾிᏛ≀ᛶ◊✲ᡤ ࣭๓ᅬᾴࠕ(OHFWURQLF6WUXFWXUH&DOFXODWLRQVXVLQJ4XDQWXP0RQWH&DUOR PHWKRGࠖ ࠊQG$IULFDQ6FKRRORQ (OHFWURQLF6WUXFWXUH0HWKRGV DQG$SSOLFDWLRQV ࠊࢣࢽ࣭ࢳ࢙ࣉࢥ࣭ࣞࣝࣘࢽࣂ࣮ࢩࢸ࣭࢝ࣞࢵࢪ ㄽᩥࠊㅮ₇ࠊ ࡑࡢฟ∧≀ ࣭๓ᅬᾴࠕ1RQDGGLWLYLW\LQPHWDOOLFWULZLUHELQGLQJࠖ ࠊ7DLZDQ-DSDQ 40&ࠊ⮹⅂ࠊ୰ኸ◊✲㝔࣭ཎᏊ⯆ศᏊ⛉Ꮫ◊✲ᡤ ࣭๓ᅬᾴࠕ0XOWLFRPSRQHQW0RQWH&DUORPHWKRGDSSOLHGWR(OHFWURQKROH V\VWHPVࠖࠊ7KLUG,6,5FROODERUDWLRQZRUNVKRSRQILUVWSULQFLSOHV FDOFXODWLRQVࠊරᗜ┴⚄ᡞᕷ࣭᭷㤿 Ἠ࣓࣮ࣉࣝ᭷㤿 ࣭๓ᅬᾴࠕ1RQDGGLWLYLW\LQPHWDOOLFWULZLUHELQGLQJࠖ ࠊ,QWHUQDWLRQDO 6\PSRVLXPRI&RPSXWDWLRQDO6FLHQFHࠊ㔠ἑᏛ⮬↛⛉Ꮫ ྕ㤋 㝵➨ ㅮ⩏ᐊ 58 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ᒸᮏ♸ᖾࠊᴿ ᡤᒓ㸦ဨศ㸧 ྡྂᒇᏛᏛ㝔⌮Ꮫ◊✲⛉ࠊศᏊ⛉Ꮫ◊✲ᡤ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 RNDPRWR#SK\VQDJR\DXDFMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ ᖺ ᭶ ᪥ 㹼 ᖹᡂ ᖺ ᭶ ᪥ 59 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ ࣞࣉࣜ࢝ἲຍᶵ⬟ࢯࣇࢺ㸸5(0 ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻ ࣀ࣮ࢻつᶍ ⏕యศᏊࡢᶵ⬟ࡣࡑࡢ❧యᵓ㐀ࡼࡾỴᐃࡉࢀࡿࠋࡋࡋ࡞ࡀࡽࡇࢀࡲ࡛ࡢィ ⟬ᶵ࡛ࡣ₇⟬⬟ຊࡀ༑ศ࡛࠶ࡗࡓࡓࡵ㸪ィ⟬ᶵࡼࡿ⏕యศᏊࡢ❧యᵓ㐀ண ࡣᅔ㞴࡛࠶ࡗࡓࠋᡃࠎࡢᥦࡍࡿࣞࣉࣜ࢝ἲຍᶵ⬟ࢯࣇࢺ㸸5(0 ࢆ᪤ ⫼ᬒࠊ┠ⓗ Ꮡࡢࢩ࣑࣮ࣗࣞࢩࣙࣥࣉࣟࢢ࣒ࣛ⤌ࡳ㎸ࡳ㸪ிࢥࣥࣆ࣮ࣗࢱࢆࡣࡌࡵࡍࡿ つᶍ୪ิィ⟬ᶵࢆ⏝࠸࡚ࢩ࣑࣮ࣗࣞࢩࣙࣥࢆ࠾ࡇ࡞࠺ࡇ࡛㸪ࣞࣉࣜ࢝ ἲࡼࡿຠ⋡ⓗ࡞ᵓ㐀᥈⣴ࢆ㇏ᐩ࡞ィ⟬ᶵ㈨※ࡼࡗ࡚ྍ⬟ࡍࡿࠋࡑࡢ⤖ᯝ ࡋ࡚⏕యศᏊࡢ❧యᵓ㐀ண ࢆᐇ⌧ࡍࡿࠋ 5(0 ࡣ᪤Ꮡࡢࢩ࣑࣮ࣗࣞࢩࣙࣥࣉࣟࢢ࣒ࣛ 03, ࢆ⏝ࡋࡓࢧࣈ࣮ࣝࢳࣥࡢᙧ ࡛⤌ࡳ㎸ࡴࡇ࡛ࣞࣉࣜ࢝ἲࡢᶵ⬟ࢆຍࡍࡿࠋ㏆ᖺ୪ิィ⟬ᶵ⎔ቃ㐺 ⏝ࡍࡿࡓࡵศᏊࢩ࣑࣮ࣗࣞࢩࣙࣥࣉࣟࢢ࣒ࣛࡣ 03, ࢆ⏝ࡋࡓ୪ิฎ⌮ࡀ ྍ⬟࡛࠶ࡿࡢࡣ୍⯡ⓗ࡛࠶ࡿࠋࡇࢀࡽࡢࣉࣟࢢ࣒ࣛᑐࡋ㸪5(0 ࡛ࡣ 03, ࢥ࣑ ࣗࢽࢣ࣮ࢱࢆ」ᩘ⏝ពࡍࡿ㸦03,B&RPPBVSOLW ࢆ⏝㸧ࠋࡇࢀࡽࡢࢥ࣑ࣗࢽࢣ࣮ ࢱࡀࡑࢀࡒࢀྛࣞࣉࣜ࢝ᑐᛂࡍࡿࠋࡑࡋ࡚ࡇࢀࡽࢆྠᐇ⾜ࡋ㸪ࢩ࣑ࣗࣞ ࣮ࢩࣙࣥࡢ࠶ࡿ㛫㝸ࡈ⏝ពࡋࡓࢧࣈ࣮ࣝࢳࣥ㸦UHSBH[FKDQJH㸧ࢆࡧฟࡋ㸪 ᗘฎ⌮ࢆ࠾ࡇ࡞࠺ࠋᅇிࢥࣥࣆ࣮ࣗࢱୖ࡛ࡇࢀࢆᐇ⌧ࡍࡿࡓࡵศᏊ ືຊᏛࢩ࣑࣮ࣗࣞࢩࣙࣥࢯࣇࢺ 02'</$6 5(0 ࢆ⤌ࡳ㎸ࢇࡔ㸦ୗᅗ㸧 ࠋ ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 ᅗ㸬REM ࡢᴫᛕᅗ REM ࡛ࡣྛࣞࣉࣜ࢝ᑐᛂࡍࡿࢩ࣑࣮ࣗࣞࢩࣙࣥࡢ⣔ࡈ MPI ࢥ࣑ࣗ ࢽࢣ࣮ࢱࢆ⏝ពࡍࡿ 60 添付資料 3 ῧ㈨ᩱ ⌧ᅾிࢥࣥࣆ࣮ࣗࢱ࡛༑ศ࡞୪ิຠ⋡ࢆฟࡍࡇࢆ┠ⓗࡋࡓࢳ࣮ࣗࢽࣥࢢ ཬࡧࢸࢫࢺィ⟬ࢆ࠾ࡇ࡞ࡗ࡚࠸ࡿࠋࢸࢫࢺィ⟬ࡋ࡚ 1 ಶࡢỈศᏊࣔࢹࣝ 㸦TIP3P㸧ࡢ⣔ᑐࡋ㸪ࣀ࣮ࢻᩘࢆኚ࠼ࡓࡢ୪ิຠ⋡ࢆ ᐃࡋ࡚࠸ࡿࠋ1 ࣞࣉࣜ࢝࠶ࡓࡾ 8 ࣀ࣮ࢻࢆ⏝࠸㸪᭱ 3072 ࣞࣉࣜ࢝㸦24576 ࣀ࣮ࢻ㸧ࢆ⏝࠸ ࡓࢩ࣑࣮ࣗࣞࢩࣙࣥࢆ୪ิຠ⋡ 99%௨ୖ࡛ᐇ⌧ࡋ࡚࠸ࡿ㸦ୗᅗ㸧 ࠋ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ グ㍕ୗࡉ࠸ࠋ 㸧 㸦ᅗࡢῧྍ㸧 䝜䞊䝗ᩘ 䝺䝥䝸䜹ᩘ ୪ิ⋡䠄䠂䠅 㻝㻞㻤 㻝㻢 㻥㻥㻚㻥㻤 㻝㻜㻞㻠 㻝㻞㻤 㻥㻥㻚㻤㻜 㻞㻜㻠㻤 㻞㻡㻢 㻥㻥㻚㻤㻡 㻟㻤㻠㻜 㻠㻤㻜 㻥㻥㻚㻥㻡 㻢㻝㻠㻠 㻣㻢㻤 㻥㻥㻚㻤㻜 㻝㻞㻞㻤㻤 㻝㻡㻟㻢 㻥㻥㻚㻟㻜 㻞㻠㻡㻣㻢 㻟㻜㻣㻞 㻥㻥㻚㻟㻜 ᅗ⾲㸸 ࣀ࣮ࢻᩘࢆኚ࠼ࡓࡢࣀ࣮ࢻᩘ୪ิ⋡ࡢኚ㸦ィ⟬᮲௳ࡣ㸪 TIP3P ỈศᏊࣔࢹࣝࡼࡿ 1 ಶࡢỈศᏊ㸪5,000~30,000 MD ࢫࢸࢵ ࣉ㸪290-300K ࡢ ᗘ⠊ᅖ㸧ࠋࡲࡓ୪ิ⋡ࡢᇶᮏ༢ࡋ࡚ 2 ࣞࣉࣜ ࢝㸦1 16 ࣀ࣮ࢻ㸧ࡢィ⟬㛫ࢆ⏝࠸ࡓࠋ ヨ㦂⏝ࡼࡿ ᡂᯝᴫせ 㸦ᅗࡢῧྍ㸧 ࡇࢀࡲ࡛ࡢ⏝ᮇ㛫ᡃࠎࡣୖグ♧ࡋࡓࡼ࠺ிࢥࣥࣆ࣮ࣗࢱୖ࡛㧗࠸୪ิ ຠ⋡ࢆ⥔ᣢࡋࡓࣉࣜࢣ࣮ࢩࣙࣥࡢᐇ⾜ࢆྍ⬟ࡋ࡚ࡁࡓࠋ≉ࠊ㸯ಶࡢ ỈศᏊࡢ⣔࠾࠸࡚ࡶ㧗࠸୪ิຠ⋡ࢆᐇ⌧࡛ࡁࡓࡢࡣ㔜せ࡛࠶ࡿࠋ 㸦࠼ࡤࠊ 㸯㸮㸮⢏Ꮚ⣔࡞ᣢࡗ࡚⾜ࡅࡤࠊࡼࡾ㧗࠸୪ิຠ⋡ࡀᮇᚅ࡛ࡁࡿࡽ࡛ 61 添付資料 3 ῧ㈨ᩱ ࠶ࡿࠋ㸧ᮏヨ㦂⏝ᮇ㛫࡛ࡣᚋிࡢ୍⯡⏝࡛࠾ࡇ࡞࠺ࡇࢆணᐃࡋ࡚࠸ࡿ Protein A ࡢᢡࡾ␚ࡳࢩ࣑࣮ࣗࣞࢩࣙࣥྥࡅࡓ‽ഛࡶ࠾ࡇ࡞ࡗࡓࠋලయⓗ ࡣ 60101 ཎᏊ⣔㸦Protein A ỈศᏊ㸧ࡘ࠸࡚ࡑࢀࡒࢀ␗࡞ࡿึᮇᵓ㐀ࢆࡶ ࡘ 256 ࣞࣉࣜ࢝ࡢ⣔ࢆ‽ഛࡋ㸪REM ࡼࡿ 150,000 ࢫࢸࢵࣉࡢࣞࣉࣜ࢝ ศᏊືຊᏛࢩ࣑࣮ࣗࣞࢩࣙࣥࢆ࠾ࡇ࡞࠸㸪ṇࡋࡃືసࡍࡿࡇࢆ☜ㄆࡋࡓࠋ ᐇ⾜㏿ᗘࡘ࠸࡚ࡣࠊ࠶ࡲࡾ㧗࠸ᩘ್ࡣᚓࡽࢀ࡚࠸࡞࠸ࡢ࡛ࠊࡑࢀࢆୖࡆࡿࡇ ࢆ┠ᣦࡍࠋᐇࡣࠊᐇ⾜㏿ᗘࡣࠊREM ࢆ⤌ࡳ㎸ࢇࡔศᏊືຊᏛࢩ࣑࣮ࣗࣞࢩ ᚋࡢィ⏬ࠊᒎᮃ ࣙࣥࣉࣟࢢ࣒ࣛ MODYLAS ࡢᐇ⾜㏿ᗘ࡛Ỵࡲࡿࡢ࡛ࠊᐇ⾜㏿ᗘࡀ㧗࠸ࠊ᪂ࡋ ࠸ MODYLAS ࡢࣂ࣮ࢪࣙࣥࢆධᡭࡋࡓࡇࢁ࡛࠶ࡾࠊࡇࢀࡼࡗ࡚ࠊ┠ᶆࡣ 㐩ᡂ࡛ࡁࡿᮇᚅࡉࢀࡿࠋ ཱྀ㢌Ⓨ⾲ 㸨ᴿࠊ ࠕࢱࣥࣃࢡ㉁ࡢᢡࡾ␚ࡳࢩ࣑࣮ࣗࣞࢩࣙࣥ㛵ࡍࡿࡇࢀࡲ࡛ࡢྲྀࡾ⤌ ࡳࠖ ࠊ➨㸱ᅇ 7&&, ◊✲ࠊ ᖺ ᭶ ᪥ࠊᒸᓮᕷ ㄽᩥࠊㅮ₇ࠊ ࡑࡢฟ∧≀ 㸨ᒸᮏ♸ᖾࠊ ࠕᣑᙇࣥࢧࣥࣈࣝἲࡼࡿศᏊࡢᵓ㐀ᶵ⬟ࡢゎ᫂ࠖࠊ➨㸱ᅇ &06, ◊✲ࠕ㉸୪ิィ⟬ࡀᣅࡃ᪂ࡋ࠸ィ⟬≀㉁⛉Ꮫࠖ ࠊ ᖺ ᭶ ᪥ࠊᒸᓮᕷ 62 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ᮡ㔝ಟ Dࠊ᳃ᕝⰋᛅ Eࠊ✄ᇉ⪔ྖ Eࠊᮌᓮᰤᖺ Eࠊሯ⏣ᤩ Fࠊ㉥ᮌே Fࠊ℈⏣ᗄ ኴ㑻 FࠊὙᖹᫀ Fࠊ㇂ᐇ Gࠊ1LFHSKRUH%RQQHWDụᗉྖẸኵ G ᡤᒓ㸦ဨศ㸧 DᮾிᏛࠊE㜰ᏛࠊFᮾᏛࠊG⏘⥲◊ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 VXJLQR#LVVSXWRN\RDFMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ ᖺ ᭶ ᪥ 㹼 ᖹᡂ ᖺ ᭶ ᪥ 63 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ 67$7( ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻつᶍ ࣀ࣮ࢻࠋ ⓒࣀ࣮ࢻ࣭㛫 ⇞ᩱ㟁ụࡢᛶ⬟ࡸಙ㢗ᛶࡢྥୖࡢࡓࡵࡣࠊᇶ♏㐣⛬ࢆゎ᫂ࡋࠊ㟁ᴟᮦᩱ㛤Ⓨ ⫼ᬒࠊ┠ⓗ ᣦ㔪ࢆ⋓ᚓࡍࡿࡇࡀᴟࡵ࡚᭷ຠ࡛࠶ࡾࠊࡑࢀࢆࡵࡊࡋࡓ⏺㠃࠾ࡅࡿ࢚ࢿࣝ ࢠ࣮ኚ㐣⛬ࡢ㔞Ꮚㄽⓗࢩ࣑࣮ࣗࣞࢺࢆ⾜࠺ࠋ67$7( ࡣ㔠ᒓ㟁ᴟỈ⁐ᾮ⏺㠃 ࡛ࡢᛂࢆ㏣࠺ࡇࡀ࡛ࡁࡿୡ⏺᭷ᩘࡢࣉ࡛ࣜ࠶ࡾࠊᛶ⬟ྥୖࢆ⾜ࡗ࡚ࡁࡓࠋ 67$7( ࡣࠊᐦᗘỗ㛵ᩘ⌮ㄽࡢࡶ࡛㟁Ꮚࢆᖹ㠃Ἴᇶᗏ ࡛グ㏙ࡋࠊཎᏊ᰾ࢆྂ㏆ఝࡢୗ࡛㛫Ⓨᒎࡉࡏࡿ DE LQLWLR0' ࡢ୰࡛ࡶࠊ⏺㠃࡛ࡢ㟁ᴟᛂࢆ᭱ࡶ⢭ᗘࡼ ࡃィ⟬࡛ࡁࡿࣉ࡛ࣜ࠶ࡿࠋᮏィ⟬࡛ࡣࠊ㟁ᴟ࡛≉ 㔜せࡉࢀࡿ௨ୗࡢⅬࢆྲྀࡾධࢀࡓ၏୍ࡢࢩ࣑ࣗࣞ ࣮ࢩ࡛ࣙࣥ࠶ࡿࠋձ㟁୍ᐃࡢୗ࡛㟁Ꮚᩘࡀኚືࡋ࡞ ࡀࡽ㉳ࡇࡿᏛᛂࡢィ⟬ࢆ⾜࠺ࡓࡵࡢ (60᭷ຠ㐽 ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 ⶸయἲ FRQVWDQWȣࡼࡤࢀࡿᡭἲࢆ⏝࠸࡚࠸ࡿࡇ ࠊղ⁐ᾮࡢ࢚ࣥࢺࣟࣆ࣮ࡢຠᯝࢆࠊᣑᙇࣥࢧࣥࣈ 㟁ᴟ⏺㠃ᶍᆺ ࣝἲࡼࡤࢀࡿ㧗ᗘ࡞⤫ィ≀⌮Ꮫࡢᢏἲࢆ⏝࠸࡚࠸ࡿ ࡇࠊࡀ≉㛗࡛࠶ࡿࠋලయⓗࡣࠊྑୖᅗ♧ࡍࡼ࠺ ࡞つᶍ࡞ᶍᆺࢆ⏝࠸࡚ࠊࣀ࣮ࢻ㟁ᴟ㓟ᛶỈ⁐ᾮ ⏺㠃࡛Ỉ⣲ࡀ㓟ࡉࢀ࡚㟁Ꮚࣄࢻࣟࢽ࣒࢘࢜ࣥ ศࢀࠊࡑࢀࡀ࢝ࢯ࣮ࢻ㟁ᴟ⏺㠃࡛㓟⣲ࢆ㑏ඖࡋ࡚Ỉ ࢆ⏕ᡂࡍࡿ㐣⛬㸦ྑୗᅗ㸧ࢆࢩ࣑࣮ࣗࣞࢩࣙࣥࡍࡿࠋ ࡇࡢ㟁ᴟᛂ⤒㊰ࢆ㔞Ꮚㄽᇶ࡙ࡁồࡵࠊࡢᮦᩱ⣔ ࡢ⏺㠃ᵓ㐀ࡢୗࠊ᭱ࡶຠ⋡Ⰻࡃ࢚ࢿࣝࢠ࣮ኚࢆ ⾜࠼ࡿࢆㄪࡿࡇࡀ࡛ࡁࡿࠋ ᭱ࡶィ⟬㔞ࡀࡁࡃ࡞ࡿ㌶㐨ࡢつ᱁┤ࢆࠊ56')7 ➼ࡢᢏἲࢆᑟධࡋ࡚㧗㏿ ࡋࡓࠋࡲࡓࠊ᭱ࡶ㏻ಙ㔞ࡀࡁࡃ࡞ࡿ㟁Ꮚᐦᗘࡢィ⟬㒊ศࡢࢳ࣮ࣗࢽࣥࢢࢆ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ グ㍕ୗࡉ࠸ࠋ 㸧 㸦ᅗࡢῧྍ㸧 ⾜ࡗ࡚ࡁࡓࠋࡉࡽࠊ࢚ࣥࢺࣟࣆ࣮ࢆྲྀࡾ㎸ࡳࠊ⮬⏤࢚ࢿࣝࢠ࣮ࢆィ⟬ࡍࡿࡓ ࡵࡢ୪ิᢏἲࢆ⊂⮬㛤ⓎࡋࡓࠋࡇࢀࡽࡢᨵⰋࡢ⤖ᯝࠊ ࣀ࣮ࢻ࡛ࡢ୪ ิィ⟬ࡢ ZHDNVFDOLQJ㉸ࢆ㐩ᡂࡋࡓࠋࡇࢀࡼࡾࠊ ཎᏊつᶍ࡛ࡢ ࢼࣀ⛊ࡢ㟁ᴟィ⟬ࡀ࡛ࡁࡿẁ㝵࠶ࡿࠋࡇࡢࣉࣜࢆ⏝࠸࡚⌧ᅾࠊⓑ㔠ࡢࣀ ࣮ࢻ⏺㠃ࡢᵓ㐀ࡢࣉࣟࢲࢡࢩࣙࣥࣛࣥࢆ⾜࠸ࠊࡲࡓࠊ⮬⏤࢚ࢿࣝࢠ࣮ィ⟬ࢆ㧗 ㏿ࡍࡿࡓࡵࡢィ⟬᮲௳ࡢ᥈⣴ࠊࡉࡽࠊᨵⰋᆺ (60 FRQVWDQWȣࢆ⤌ࡳྜࢃ ࡏࡓィ⟬ࡢ㧗⢭ᗘࢆ⾜ࡗ࡚࠸ࡿࠋ⥲ྜⓗ࡞㟁ᴟィ⟬ࣉࣜࡋ࡚ࡢᡂྥ ࡅ࡚㛤Ⓨࡀ㡰ㄪ㐍ࢇ࡛࠸ࡿࠋ ࡉࡽ୪ิຠ⋡ࢆ㧗ࡵࠊᩘ༓ཎᏊつᶍࡢィ⟬ࢆྍ⬟ࡍࡿࡓࡵࠊ ㍈୪ 64 添付資料 3 ῧ㈨ᩱ ิ㸦N Ⅼࠊࣂࣥࢻࠊ* ࣋ࢡࢺࣝ㸧ࡢࢥ࣮ࢻࡢ᭩ࡁ࠼ࢆ⾜࠸ࠊᇶᮏⓗ࡞ᕤ⛬ࡣ ࡰ⤊ࡋ࡚࠸ࡿࠋࡓࡔࠊ㔞Ꮚࢩ࣑࣮ࣗࣞࢩࣙࣥࡢሙྜࠊィ⟬つᶍࡢᣑࠊ ⮬ᕫ↓᧐╔ィ⟬ࡼࡤࢀࡿ㠀⥺ᙧ᭱㐺ၥ㢟ࡢ᮰ᛶࡢྥୖࢆࠊྠ⾜ࢃ࡞ ࠸つᶍ㧗㏿ࡀ㐩ᡂ࡛ࡁ࡞࠸ࠋ⌧≧ࡣࠊ๓⪅ࡀࡰゎỴࡉࢀࡓẁ㝵࡛࠶ࡿࠋ ୍㎶ࡢ㛗ࡉࡀ ࢼࣀ࣓࣮ࢺࣝࡢ⏺㠃ᶍᆺ㸦๓࣮࣌ࢪཧ↷㸧ࢆ⏝࠸ࠊ ࣔࣝࡢ ᕼ◲㓟ⓑ㔠ࣀ࣮ࢻࡢ⏺㠃ࢆ⾜࠸ࠊ㟁྾╔Ỉ⣲ࡢ⿕そ⋡࣭ᵓ㐀㛵ࡍࡿ ▱ぢࢆᚓࡓࠋィ⟬つᶍࡢᣑࡼࡾ᪂ࡓ࡞▱ぢ㸦ձ㹼մ㸧ࡀከࡃᚓࡽࢀࠊᚋ ࡢ㟁ᴟᛂࡘ࡞ࡀࡿィ⟬࡞ࡗࡓࠋձᚑ᮶ࡢീ␗࡞ࡾ➨୍ỈᅪࡢỈࡢ ᵓ㐀ࡣᦂࡽࡂࡀࡁ࠸ࠊղỈࡢᵓ㐀ࡣ㟁ண௨ୖ౫Ꮡࡍࡿࠊճ྾╔Ỉ⣲ ࡼࡿ⿕そࡀྍ⬟ࠊմ⏺㠃㏆࡛ࡢ㟁ゎ㉁࢜ࣥࡣỈ⣲⿕そ⋡ண௨ୖ ౫Ꮡࡍࡿࠋ ࡼࡾࡁ࡞⏺㠃ᶍᆺࢆ⏝࠸࡚ࠊ⏺㠃ࢫࢸࢵࣉᵓ㐀ࡀ࠶ࡿሙྜࡢ㟁ᴟᛂࡢ ᵝᏊࡀゎࡗ࡚ࡁࡓࠋᚑ᮶ࠊ㓟⣲㑏ඖ᮲௳㸦㟁ࡀࠊỈ⣲ᶆ‽㟁ᴟ㟁ẚ࡚ 9 ⛬ᗘ㧗࠸᮲௳㸧࡛ࠊỈࡣỈ⣲ࢆ㟁ᴟᑐ᪉ྥྥࡅ࡚྾╔ࡍࡿ⪃࠼ࡽࢀ ࡚ࡁࡓࡀࠊࢫࢸࢵࣉࡀ࠶ࡿ≧ἣࡣ␗࡞ࡾࠊỈࡀỈ⣲ࢆ㟁ᴟഃྥࡅ࡚྾╔ࡍ ࡿࡇࡀศࡗࡓ㸦ୗᅗ㸧 ࠋࢸࣛࢫୖ࡛ࡣỈ⣲ࡀ㟁ᴟᑐ᪉ྥྥ࠸࡚࠸ࡿࡢ ࡛ࠊࣄࢻࣟࢽ࣒࢘࢜ࣥࡀ㓟⣲ศᏊࢆ㑏ඖࡍࡿࡇࡣᅔ㞴࡛࠶ࡿࡀࠊࢫࢸࢵࣉ ヨ㦂⏝ࡼࡿ ࡛ࡣࡑࢀࡀྍ⬟࡛࠶ࡿࡇࢆ♧၀ࡋࠊ㓟⣲㑏ඖ㐣⛬㛵ࡍࡿ࣓࢝ࢽࢬ࣒ࡢゎ᫂ ᡂᯝᴫせ ㏕ࡿ⤖ᯝ࡞ࡗ࡚࠸ࡿࠋࡇࡢࢆࡉࡽ☜ࡵࡿࡓࡵࠊࢫࢸࢵࣉ࡛ࡢࣄࢻࣟ 㸦ᅗࡢῧྍ㸧 ࢟ࢩࣝᇶࡢ྾╔࢚ࢿࣝࢠ࣮ࢆㄪࠊࡑࢀࡀࢸࣛࢫ≧࡛ࡢ್ࡼࡾࡶ࡞ࡾࡁ࠸ ࡇࢆぢฟࡋࡓࠋࡇࡢ⌧㇟ࢆㄝ᫂ࡍࡿ㘽ࡋ࡚ࠊỈ⣲⤖ྜࢿࢵࢺ࣮࣡ࢡࡢ㛵 ࡀ࠶ࡿࡇࡀゎࡗࡓࠋ ࡇࡢࡼ࠺ィ⟬つᶍ ࡢᣑࡼࡾࠊࡇࢀࡲ ࡛ᬯ௬ᐃࡋ࡚ࡁࡓࡇ ࡀᚲࡎࡋࡶṇ☜࡛࡞ ࡃࠊ㟁ᴟ⏺㠃ࡣ」㞧࡞ ᵓ㐀ࢆᙧᡂࡋ࡚࠸ࡿࡇ ࡀゎࡗ࡚ࡁࡓࠋᚑ᮶ ࡢ⏺㠃ᵓ㐀ᶍᆺࡢぢ┤ࡋࡀᚲせ࡞ẁ㝵࡞ࡗ࡚࠸ࡿࡇࢆ♧ࡋ࡚࠸ࡿࠋ ࡇࡢࠊ:DQJ/DQGDX ἲᇶ࡙ࡃ⮬⏤࢚ࢿࣝࢠ࣮ィ⟬ἲࢆ⏝࠸ࡓィ⟬ࡢ᭱㐺 ࠊᨵⰋᆺ (60 FRQVWDQWȣࢆ⤌ࡳྜࢃࡏࡓィ⟬ࡢヨ㦂ⓗ㐠⏝ࠊ࡞ࡘ࠸࡚ ࡶ㡰ㄪ㐍ࢇ࡛࠸ࡿࠋ ࡇࢀࡲ࡛㟁ᴟ⏺㠃ࡢᵓ㐀㛵ࡍࡿᵝࠎ࡞▱ぢࢆᚓࡓࡢ࡛ࠊࡑࢀᇶ࡙ࡁ⏺㠃ࡢ ᚋࡢィ⏬ࠊᒎᮃ ᶆ‽ᶍᆺࢆᵓ⠏ࡍࡿࡢࡀḟࡢẁ㝵࡛࠶ࡿࠋࡑࡢᶍᆺᇶ࡙ࡁࠊ㧗ᗘ࡞⮬⏤࢚ࢿ ࣝࢠ࣮ィ⟬ࢆ⾜࠺ࡇࡼࡾࠊ㟁ᴟᛂࡀ㟁౫Ꮡࡋ࡚ࡢࡼ࠺㐍ࡴࢆ ㄪࡿࡇࡀ࡛ࡁࡿࠋࡑࡢィ⟬ࢆᵝࠎ࡞ᮦᩱ⣔ࡸ⏺㠃ᣦᩘ࡞ᑐࡋ࡚⾜࠺ࡇ 65 添付資料 3 ῧ㈨ᩱ ࡼࡾࠊⓑ㔠࠾ࡼࡧᮍ▱ࡢ㟁ᴟୖ࡛ࡢᛂண ࢆ⾜࠼ࡿᵝ࡞ࡿࠋࡲࡓࠊ⏺ 㠃ࡢᏳᐃᛶࡢィ⟬ࡶྠ⾜࠺ࡇࡀ࡛ࡁࡿࡢ࡛ࠊ㟁ᴟຎ㛵ࡍࡿ▱ぢࢆᚓ ࡿࡇࡀ࡛ࡁࡿࠋ ᮡ㔝ಟࠊ➨୍ཎ⌮ᇶ࡙ࡃ㟁ᴟᛂࡢ㔞Ꮚㄽࠊᨺᑕග㐃ᦠ࣮࣡ࢡࢩࣙࢵࣉࠊ ᖺ ᭶ ᪥ࠊᮾிᏛ ᮡ㔝ಟࠊ'HYHORSPHQWRID)LUVW3ULQFLSOHV0ROHFXODU'\QDPLFV6LPXODWLRQ6FKHPH ㄽᩥࠊㅮ₇ࠊ IRU(OHFWURFKHPLFDOO\%LDVHG6ROLG/LTXLG,QWHUIDFHࠊ,8056,&(0ࠊ ࡑࡢฟ∧≀ ᖺ ᭶ ᪥ࠊᶓ ᮡ 㔝 ಟ ࠊ 0LFURVFRSLF XQGHUVWDQGLQJ RI WKH HOHFWURFKHPLFDO LQWHUIDFHV ࠊ 6RFKHVࠊ ᖺ ᭶ ᪥ࠊྎ 66 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 ᡤᒓ㸦ဨศ㸧 ۑ㇂ ᐇ㸦㸯㸧ࠊ⬥ 㸦㸰㸧ࠊᑿᓮὈຓ㸦㸱㸧ࠊTruong Vinh Truong Duy㸦㸱㸧 㸦㸯㸧⏘⥲◊࣭ࢼࣀࢩࢫࢸ࣒◊✲㒊㛛ࠊ 㸦㸰㸧᪥⏘⮬ື㌴㸦ᰴ㸧 ࣭⥲ྜ◊✲ᡤࠊ 㸦㸱㸧㝣ඛ➃࣭ࢩ࣑࣮ࣗࣞࢩࣙࣥ⛉Ꮫ◊✲ࢭࣥࢱ࣮ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 [email protected] ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ ᖺ ᭶ ᪥ 㹼 ᖹᡂ ᖺ ᭶ ᪥ 67 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥྡ OpenMX (Open source package for Material eXplorer) ௨ୗࡢࡼ࠺࡞ࣀ࣮ࢻつᶍࡢィ⟬ࢆࠊᗄࡘࡢつᶍࢲࣖࣔࣥࢻ⤖ᬗࣔࢹ ᐇ㝿⏝ࡋࡓ ࣝᑐࡋ࡚⾜࡞ࡗࡓ㸦᭱⤊ヨ㦂⏝ᮇ㛫㸧ࠋ ࣀ࣮ࢻつᶍ ࣭125,000 ཎᏊ/ࢭࣝ㸸2500㹼5000 ࣀ࣮ࢻ㸦1 ࣀ࣮ࢻᙜࡾ 8 ࢥࠊFlat MPI㸧 ࣭160,000 ཎᏊ/ࢭࣝ㸸5000㹼10000 ࣀ࣮ࢻ㸦1 ࣀ࣮ࢻᙜࡾ 8 ࢥࠊFlat MPI㸧 ࠙⫼ ᬒࠚ ࣜࢳ࣒࢘࢜ࣥ㟁ụࡢ㟁ᴟᮦᩱ㟁ゎ㉁ࡢ⏺㠃ࡣ㟁ụືసక࠸⿕⭷ᵓ㐀ᙧ ᡂࡸࠊ㟁ᴟᮦᩱࡽࡢ࢜ࣥ⁐ฟ࡞ࠊ㟁ụࡢᨺ㟁≉ᛶࡸຎࡁ࡞ᙳ㡪 ࢆ࠼ࡿ⌧㇟ࡀ㉳ࡇࡿࠋࡋࡋࠊࡑࢀࡽ㟁ᴟ⾲㠃࠾ࡅࡿ⌧㇟ࡢⓎ⌧ᶵᵓࡸࡑ ⫼ᬒࠊ┠ⓗ ࢀࢆᕥྑࡋᚓࡿ⏺㠃ᵓ㐀ࡘ࠸࡚ࡣᮍゎ࡛᫂࠶ࡿࡢࡀ⌧≧࡛࠶ࡿࠋ ࠙┠ ⓗࠚ つᶍࣔࢹࣝᇶ࡙ࡃཎᏊࢫࢣ࣮ࣝࢩ࣑࣮ࣗࣞࢩࣙࣥࢆ⏝࠸࡚ࠊ⏺㠃ᵓ㐀ࡸ㟁 ẼᏛᛂᶵᵓ࡞ࡢᇶ♏ⓗ≀ᛶࢆ᫂ࡽࡋࠊࣜࢳ࣒࢘࢜ࣥ㟁ụ⣔ࡢᅛᾮ ⏺㠃࠾ࡅࡿ⌧㇟ࢆཎᏊ࣭ศᏊࢫࢣ࣮࡛ࣝ⌮ゎࡍࡿࡇ 䛆ィ⟬ᡭἲ䛇 ࣀ࣒ࣝಖᏑᆺᨃ࣏ࢸࣥࢩࣕࣝ㸩ᩘ್ᒁᅾᇶᗏᇶ࡙ࡃᐦᗘỗ㛵ᩘἲィ⟬ࠋ ィ⟬ᡭἲࠊ ලయⓗ࡞⏝᪉ἲ 㸦ᅗࡢῧྍ㸧 Krylov 㒊ศ✵㛫ἲᇶ࡙ࡃ O(N)➨୍ཎ⌮ィ⟬ࡀྍ⬟ࠋ 䛆⏝᪉ἲ䛇 㔠ᒓࠊ༙ᑟయࠊ⤯⦕యࡢ࠶ࡽࡺࡿ⣔ᑐࡋ࡚㐺⏝ྍ⬟ࠋ≉ Krylov 㒊ศ✵㛫 ἲᇶ࡙ࡃ O(N)ἲ࡛ࡣࠊ㔠ᒓࠊ༙ᑟయࠊ⤯⦕య࠸ࡎࢀࡢ㟁Ꮚ≧ែィ⟬࠾࠸࡚ ࡶⰋዲ࡞᮰ᛶࡀᚓࡽࢀࡿⅬࡀ≉ᚩ࡛࠶ࡾࠊ㟁༳ຍࡼࡾ⣔ࡢࣂࣥࢻࢠࣕࢵ ࣉࡀኚࡍࡿ㟁ẼᏛ⣔ࡢつᶍ➨୍ཎ⌮ศᏊືຊᏛィ⟬᭷ຠࠋ 䛆㧗୪ิ䚸㧗㏿䛇 ࣭ ୪ิᗘᑐࡋ࡚࣓ࣔࣜࢧࢬࡀ non-scalable ࡞ࡿཎᅉࢆ≉ᐃࡋࠊࣉࣟࢢ ࣒ࣛࡢᨵⰋࢆᐇ㸦ලయⓗࡣࠊ୪ิࡢࡓࡵ⣔ࢆཎᏊࢡࣛࢫࢱศ ࡋ࡚ྛࣉࣟࢭࢫࡾࡿ㝿ࠊࢡࣛࢫࢱ࿘㎶ࡢ㞄᥋ཎᏊ⩌ࡢሗࢆྛࣉࣟ 㛤Ⓨ≧ἣ㸦༢యᛶ⬟ࠊ ࢭࢫࡢࣂࢵࣇ㡿ᇦಖᣢࡉࡏࡿ௦ࢃࡾࠊon-the-fly ࡛㏻ಙࢆࡋ࡚ሗ ୪ิᗘࠊᐇ⾜ᛶ⬟➼ࢆ ࢆྲྀᚓࡍࡿࡼ࠺ኚ᭦㸧ࠋࡑࢀࡼࡾࠊ୪ิᗘᑐࡍࡿ࣓ࣔࣜࢧࢬࡢ ㋃ࡲ࠼ࡓ㐩ᡂ≧ἣࠊ⌧ scalability ࢆᐇ⌧ࡋࡓࠋ ≧ࡢၥ㢟Ⅼ➼ࢆᐃ㔞ⓗ ࣭ Krylov 㒊ศ✵㛫ἲᇶ࡙ࡃィ⟬࡛᭱ࡶィ⟬㈇Ⲵࡢ㧗࠸㒊ศࡢ୍ࡘ࡛࠶ࡿᑐ グ㍕ୗࡉ࠸ࠋ 㸧 ゅࣉࣟࢭࢫ࠾࠸࡚ࠊ࣮ࣝࣉࡢ unrolling ࡸ SSE ࡼࡿ࣋ࢡࢺࣝࢆ 㸦ᅗࡢῧྍ㸧 ⾜ࡗࡓࠋࡑࢀࡼࡾࠊヱᙜ㒊ศ࡛ࡢィ⟬㏿ᗘࢆࡇࢀࡲ࡛ẚ㍑ࡋ࡚㸰ಸ 㧗㏿ࡋࡓࠋ ࣭ ୪ิᑐᛂࡋࡓ㧗㏿ࣇ࣮࢚ࣜኚィ⟬࠾࠸࡚ࠊࣉࣟࢭࢫ㛫ࡢ㏻ಙ㔞ࡀ ᭱ᑠ࡞ࡿ✵㛫ศἲࢆ⊂⮬ぢฟࡋࠊつᶍィ⟬ࡢ᭦࡞ࡿ㧗㏿ࢆᐇ⌧ ࡋࡓࠋ 68 添付資料 3 ῧ㈨ᩱ 䛆䝅䝭䝳䝺䞊䝅䝵䞁ᶵ⬟䛇 ࣭ ᗘไᚚᶵ⬟ࡢᣑᙇ㸸ᅛᾮ⏺㠃ࡢࡼ࠺␗࡞ࡿ┦ࡀඹᏑࡍࡿ⣔ᑐࡍࡿ O(N)ἲ࡛ࡢ MD ィ⟬ࢆࠊ≉⣔ෆ࠾ࡅࡿ ᗘศᕸࡢⅬࡽᏳᐃⓗᐇ⾜ ࡍࡿࡓࡵࠊྛ┦⊂❧ࡋࡓ⇕ᾎࢆ㐺⏝࡛ࡁࡿࡼ࠺ࡋࡓࠋ ࣭ つᶍ⣔࠾ࡅࡿ㟁Ⲵゎᯒࢆຠ⋡ⓗ⾜࠺ࡓࡵࠊKrylov 㒊ศ✵㛫ἲࡢࢫ ࣮࣒࢟ᇶ࡙࠸࡚௵ពࡢ㡿ᇦ࡛ Natural Atomic Population ゎᯒࢆ⾜࠺ࡇ ࡀྍ⬟࡞ࢶ࣮ࣝࢆ㛤Ⓨࡋࡓࠋ ヨ㦂⏝ࡼࡿ ࠕிࠖヨ㦂⏝ᮇ㛫୰ࡣࠊ ࠕிࠖ࠾ࡅࡿ OpenMX ࡢࣃࣇ࢛࣮࣐ࣥࢫྥୖ≉ ᡂᯝᴫせ ࡋ࡚సᴗࢆ⾜ࡗ࡚ࡁࡓࡓࡵࠊ ࠕி࡛ࠖࡢࣉࣟࢲࢡࢺࣛࣥࡋ࡚ࡢࢩ࣑࣮ࣗࣞࢩ 㸦ᅗࡢῧྍ㸧 ࣙࣥࡢᐇࡣ↓ࡋࠋ ࠕி୍ࠖ⯡⏝ㄢ㢟ࠗ㧗ᛶ⬟㟁ࢹࣂࢫ㛤Ⓨྥࡅࡓ⌮ㄽⓗᇶ┙◊✲࠘࠾ ᚋࡢィ⏬ࠊᒎᮃ ࠸࡚ࠊ2000㹼4000 ཎᏊࢧࢬࣔࢹࣝࡢ➨୍ཎ⌮ MD ィ⟬ᇶ࡙ࡁࠊ᭷ᶵ⁐፹㟁ᴟࡢᅛᾮ⏺㠃㛵ࡍࡿᇶ♏ⓗ▱ぢࢆ⋓ᚓࡋࠊSEI ᙧᡂࡸ㟁ᴟᮦᩱࡢຎᶵᵓ ࢆゎ᫂ࡍࡿࠋ ࠙Ꮫ⾡㞧ㄅࠚ (1) Truong Vinh Truong Duy and Taisuke Ozaki, “A three-dimensional domain decomposition method for large-scale DFT electronic structure calculations”, Computational Physics Communications (submitted). (2) Truong Vinh Truong Duy and Taisuke Ozaki, “A decomposition method with minimum multi-dimensional communication FFTs”, amount Computational for Physics parallelization of Communications (submitted). ࠙ㅮ ₇ࠚ ㄽᩥࠊㅮ₇ࠊ (1) Duy Truong Vinh Truong and Ozaki Taisuke, “A three-dimensional ࡑࡢฟ∧≀ domain decomposition method for large-scale ab initio electronic structure calculations”, SIAM Conference on Computational Science and Engineering, Feb. 25 - March 1, 2013, Boston, Massachusetts, USA. (2) Taisuke Ozak, “Massively Parallelized Density Functional Calculations for Large-Scale Systems Including a Hundred Thousand Atoms”, 2nd International Symposium on Hierarchy and Holism in Natural Sciences, 2012 ᖺ 2 ᭶ 19 ᪥-21 ᪥, National Center of Sciences, Tokyo. (3) ㇂ᐇࠊ”㟁ᴟ/⁐ᾮ⏺㠃࠾ࡅࡿ㟁ẼᏛᛂࢩ࣑࣮ࣗࣞࢩࣙࣥ㸸⌮ㄽࡢⓎ ᒎ᭱㏆ࡢᒎ㛤”ࠊࢫ࣮ࣃ࣮ࢥࣥࣆ࣮ࣗࢱ࣮࣡ࢡࢩࣙࢵࣉ 2013ࠊ2013 ᖺ 1 ᭶ 22 ᪥ࠥ23 ᪥ࠊ⮬↛⛉Ꮫ◊✲ᶵᵓࠊ 69 添付資料 3 ῧ㈨ᩱ (4) Duy Truong Vinh Truong and Ozaki Taisuke㸪“Massive Parallelization of a Linear Scaling DFT Code OpenMX”ࠊࣁࣃࣇ࢛࣮࣐ࣥࢫࢥࣥࣆ࣮ࣗࢸࣥ ࢢィ⟬⛉Ꮫࢩ࣏ࣥࢪ࣒࢘ࠊ2013 ᖺ 1 ᭶ 15 ᪥㹼16 ᪥ࠊᮾிᕤᴗᏛ ⶶ๓ 㤋 ࡃࡽࡲ࠼࣮࣍ࣝ. (5) ᑿᓮὈຓࠊ“➨୍ཎ⌮㟁Ꮚ≧ែィ⟬ࢥ࣮ࢻ OpenMX ࡢ㉸୪ิཬࡧ㧗⢭ᗘ ”ࠊ➨ 3 ᅇ CMSI ◊✲ࠊ2012 ᖺ 12 ᭶ 3㸫5 ᪥ࠊ⮬↛⛉Ꮫ◊✲ᶵᵓ ᒸᓮࢥ ࣥࣇࣞࣥࢫࢭࣥࢱ࣮. (6) ⬥ࠊ㇂ᐇࠊ“㧗ᛶ⬟ࣜࢳ࣒࢘࢜ࣥ㟁ụࡢ㛤Ⓨྥࡅࡓᇶ♏ⓗ◊✲”ࠊ ➨ 3 ᅇ CMSI ◊✲ࠊ2012 ᖺ 12 ᭶ 3㸫5 ᪥ࠊ⮬↛⛉Ꮫ◊✲ᶵᵓ ᒸᓮࢥࣥࣇ ࣞࣥࢫࢭࣥࢱ࣮. (7) Duy Truong Vinh Truong and Ozaki Taisuke, “A three-dimensional domain decomposition method for large-scale ab initio electronic structure calculations”, Conference on Computational Physics (CCP2012), October 14 -18, 2012, Kobe, Japan. (8) Taisuke Ozaki㸪“Massively parallelized O(N) Krylov subspace method for large-scale DFT Calculations”㸪IUMRS-ISEM 2012, Japan㸪2012 ᖺ 9 ᭶ 23 㸫28 ᪥㸪PACIFICO Yokohama, Japan. (9)“ศᏊࢩ࣑࣮ࣗࣞࢩࣙࣥ⛉Ꮫ 㹼ࡑࡢᴫせᮦᩱ㛤Ⓨ࠾ࡅࡿྍ⬟ᛶ㹼”ࠊ ᑿᓮὈຓࠊ᪥⏘⮬ື㌴⥲ྜ◊✲ᡤㅮ₇ࠊ2012 ᖺ 9 ᭶ 21 ᪥ࠊ᪥⏘⮬ື㌴(ᰴ) ⥲ ྜ◊✲ᡤ. (10) ᑿᓮὈຓࠊ“ࢫ࣮ࣃ࣮ࢥࣥࣆ࣮ࣗࢱ࡛ᣅࡃ≀㉁⛉Ꮫࡢᮍ᮶”ࠊᖹᡂ 24 ᖺᗘ ISP ὶࢭ࣑ࢼ࣮ࠊ2012 ᖺ 7 ᭶ 26 ᪥ࠊ▼ᕝࣁࢸࢡὶࢭࣥࢱ࣮. (11) Taisuke Ozaki 㸪 “Large-scale electronic structure calculations by OpenMX: Current status and Future”㸪Material Simulation in Petaflops era (MASP) 2012㸪2012 ᖺ 7 ᭶ 11 ᪥, ISSP, Univ. of Tokyo, Japan. (12) Taisuke Ozaki㸪“Low-order Scaling Density Functional Methods Based on Quantum Nearsightedness”㸪SIAM Conference on Parallel Processing for Scientific Computing㸪Feb. 15-17, 2012㸪Savanna, USA. ࠙ࡑࡢฟ∧≀ࠚ࡞ࡋ 70 添付資料 3 ῧ㈨ᩱ ࠕிࠖヨ㦂⏝ ᭱⤊ᡂᯝሗ࿌ࣇ࢛࣮࣒ Ặྡ㸦ဨศ㸧 㤋ᒣెᑦ⿇ࠊۑᒣኴ㑻ࠊᇛ㔝ுኴ ᡤᒓ㸦ဨศ㸧 㸦⊂㸧≀㉁࣭ᮦᩱ◊✲ᶵᵓࠊᮾிᏛᏛ㝔ᕤᏛ⣔◊✲⛉ 㟁Ꮚ࣓࣮ࣝ㸦௦⾲㸧 7$7(<$0$<RVKLWDND#QLPVJRMS ⏝ᮇ㛫㸦௦⾲㸧 ᖹᡂ ᖺ ᭶ ᪥ 㹼 ᖹᡂ ᖺ ᭶ ᪥ 71 添付資料 3 ῧ㈨ᩱ ࣉࣜࢣ࣮ࢩࣙࣥ ྡ ᐇ㝿⏝ࡋࡓ ࣀ࣮ࢻつᶍ &30' ᭱㸳㸯㸰ࣀ࣮ࢻ ᐦᗘỗ㛵ᩘ⌮ㄽ')7ࡼࡿ㟁Ꮚ≧ែィ⟬ࢆᇶࡋࡓศᏊືຊᏛ')70'ࡣࠊ⁐ᾮ ᛂࡸᅛᾮ⏺㠃ᛂ࠸ࡗࡓᵓ㐀ᦂࡽࡂࡀᖹ⾮≧ែ࠾ࡼࡧάᛶ≧ែ㔜せ࡞ᙺ ࢆᯝࡓࡍᛂ⩌ᑐࡍࡿ㟁Ꮚ࣭ཎᏊࢫࢣ࣮ࣝࡽࡢグ㏙᭱㐺࡞ィ⟬ᡭἲ࡛࠶ ࡿࠋࡲࡓ⁐ᾮ࣭ᅛᾮ⏺㠃ᛂࡣ࢚ࢿࣝࢠ࣮࣭⎔ቃၥ㢟᭱ࡶ㛵㐃ࡍࡿ㟁ụ࣭ゐ፹ ⫼ᬒࠊ┠ⓗ ࠾ࡅࡿ᭱㔜せ⣲㐣⛬࡛ࡶ࠶ࡿࠋᮏࣉࣟࢪ࢙ࢡࢺ࡛ࡣࠊᑗ᮶ⓗ㟁ụ࣭ゐ፹⣔ࡢࣜ ࣜࢫࢸࢡࢩ࣑࣮ࣗࣞࢩࣙࣥࢆᐇ⾜ࡍࡿࡇࢆ┠ᶆࠊ')70' ࡢ୰࡛ࡶィ⟬ຠ⋡ ࡀ㧗࠸⪃࠼ࡽࢀ࡚࠸ࡿ &DU3DUULQHOOR0ROHFXODU'\QDPLFVἲィ⟬ࢥ࣮ࢻ &30'ࡢிࢥࣥࣆ࣮ࣗࢱୖ࡛ࡢ᭱㐺ࢆᐇ⾜ࡋࡓࠋ &DU3DUULQHOOR0' ἲࡣ㟁Ꮚ≧ែࡢ㛫ⓎᒎཎᏊ᰾ࡢ㛫Ⓨᒎࢆྠ⾜࠺ࡇ ࡢฟ᮶ࡿࣛࢢࣛࣥࢪࣥࢆ⏝࠸࡚ 0' ࢧࣥࣉࣜࣥࢢࢆᐇ⾜ࡍࡿᡭἲ࡛࠶ࡿࠋ㏻ᖖࡢ ')70' ࡛ࡣྛཎᏊ᰾ࢫࢸࢵࣉࡈ㟁Ꮚ≧ែ᭱㐺6&)ࢆ⾜࠺ࡢᑐࡋ࡚ࠊ&30' ィ⟬ᡭἲࠊ ࡛ࡣ 2QWKH)O\0' ࢆ⏝ࡍࡿࡇࡼࡾࡑࡢ 6&) ࢆᅇ㑊ࡍࡿࡇࡀ࡛ࡁࠊ㧗㏿࡞ ලయⓗ࡞⏝᪉ἲ 0' ࢧࣥࣉࣜࣥࢢࡀᐇ⾜ྍ⬟࡞ࡗ࡚࠸ࡿࠋࡲࡓつ᱁┤ࡶከࡃᚲせ࡞࠸ࡓࡵࠊ 㸦ᅗࡢῧྍ㸧 ୪ิィ⟬࠾ࡅࡿ㏻ಙ㔞ࢆῶࡽࡍࡇࡀ࡛ࡁࠊ㧗࠸୪ิຠ⋡ࡢィ⟬ࡀᐇ⾜ྍ⬟࡞ ࡗ࡚࠸ࡿࠋࡇࢀࡽࡢࢻࣂࣥࢸ࣮ࢪࢆ⏝ࡍࡿࡇࡼࡾࠊᏛᛂ⮬⏤࢚ࢿࣝࢠ ࣮࡞ࡢィ⟬ࢆ࣮ࣜࢬࢼࣈࣝ࡞ィ⟬ࢥࢫࢺ࡛ᐇ⾜ྍ⬟࡞ࡿࠋ 㸦㸯㸧CPMD ࢥ࣮ࢻࡢிࡢ⛣᳜ࠊ 㸦㸰㸧ᑠつᶍィ⟬⣔ࢆ⏝࠸ࡓ Intel Linux Cluster ࡢẚ㍑ཬࡧࠊ㸦㸱㸧ிୖ࡛ࡢ᭱㐺ࡼࡿ㧗୪ิຠ⋡ࡢᐇ⌧ࡢ㸱Ⅼࡘ࠸࡚ᐇ⾜ ࡋࡓࠋࡲࡎிࡢ⛣᳜ࡣࢫ࣒࣮ࢬ㐍ࡳࠊḟ Intel Linux Cluster ࡢẚ㍑࡛ࡣ 512 core (ி࡛ࡣ 64 node)࡛ࡢࢫࣆ࣮ࢻẚ㍑ࢆ⾜࠺ࡇࡼࡾࠊIntel Cluster ࡢ 㛤Ⓨ≧ἣ㸦༢యᛶ 512 core flatmpi ࡼࡾࡶிୖࡢ 64 processes 8 threads (512 core)ࡢ᪉ࡀ㧗㏿࡞ ⬟ࠊ୪ิᗘࠊᐇ⾜ᛶ ࡿᡤࡲ࡛ࣁࣈࣜࢵࢻ୪ิࠊࢥ࣮ࢻ᭱㐺ࢆᐇ⾜ࡋࡓࠋࡇࡇ࡛ࡣᑗ᮶ࡢ ⬟➼ࢆ㋃ࡲ࠼ࡓ㐩 portability ࡢ⥔ᣢࢆ┠ᶆ᭱ప㝈ࡢࢥ࣮ࢻኚ᭦࡛ࡢࡕࡹ࣮ࢽࣥࢢࡋࡓࠋ᭱ᚋ ᡂ≧ἣࠊ⌧≧ࡢၥ㢟 ୪ิィ⟬ຠ⋡ࡢྥୖࡘ࠸࡚ࢺࣛࡋࡓࠋୗ⾲࠶ࡿࡼ࠺ࠊ2400 ཎᏊࠊ8000 㟁 Ⅼ➼ࢆᐃ㔞ⓗグ Ꮚࡢ⁐ᾮ⣔ᑐࡋ࡚ 512 node (4096 core: 512 MPI process x 8 threads)ࡢィ⟬࡛ ㍕ୗࡉ࠸ࠋ 㸧 ୪ิࢫࢺࣟࣥࢢࢫࢣ࣮ࣜࣥࢢ 0.9 ࢆᐇ⌧ࡋࡓࠋࡇࢀࡣிࢥࣥࣆ࣮ࣗࢱ㧗ᗘ⏝ࡢ 㸦ᅗࡢῧྍ㸧 ᮲௳࡛࠶ࡿࢫࢺࣟࣥࢢࢫࢣ࣮ࣜࣥࢢ 0.75 ࢆ༑ศࢡࣜࡋࡓ≀࡞ࡗ࡚࠸ࡿࠋࡉࡽ ࣉࣟࣇࣛࡼࡿࢆゎᯒࢆᐇ⾜ࡋࡓ⤖ᯝࠊᖹᆒⓗ 6000 GFLOPSࠊ⣙ 10% ࡢࢫࣆ࣮ࢻࢆᐇ⌧ࡋࡓࠋࡲࡓᩚᩘ₇⟬࡛ࡶ 3650000 MIPSࠊ11%ࢆᐇ⌧ࡋࠊSIMD ⋡ 50%ᙉࢆ㐩ᡂࡋࡓࠋࡇࢀࡽࡢ⤖ᯝࡣࠊᚋࡢ᭦࡞ࡿつᶍ⣔ࡢ㧗ຠ⋡୪ิ ィ⟬ࡢྍ⬟ᛶࢆ♧၀ࡍࡿࡶࡢ࡞ࡗ࡚࠸ࡿࠋ 72 添付資料 3 ῧ㈨ᩱ 㛤Ⓨ≧ἣ㏙ࡓ㏻ࡾࠊ2400 ཎᏊつᶍࡢ⁐ᾮ⣔࡛༑ศ࡞ィ⟬㏿ᗘࠊ୪ิຠ⋡ࢆ ᚓࡓࠋࡇࢀࡽࡢ⣔࡛ 1MD step ࡀ 17 ⛊࡛ィ⟬ྍ⬟࠸࠺ࡇࡽࠊ㸯᮲௳ࡢࢧࣥ ヨ㦂⏝ࡼࡿ ࣉࣜࣥࢢᚲせ࡞ 10 MD step ࡢᐇ⾜ࡀ⣙㸱㐌㛫࡛῭ࡴࡇࢆ♧ࡋ࡚࠸ࡿࠋࡇࢀ ᡂᯝᴫせ ࡣᚑ᮶࡛ࡣᩘࣨ᭶௨ୖࡗ࡚࠾ࡾࠊ᱁ẁࡢࢫࣆ࣮ࢻࢵࣉ࡞ࡗ࡚࠸ࡿࠋࡇࢀࡽ 㸦ᅗࡢῧྍ㸧 ࡢ್ࡣᚋࡢ㟁ụࡸゐ፹ࡢࣜࣜࢫࢸࢡࢩ࣑࣮ࣗࣞࢩࣙࣥࡢ㧗ຠ⋡୪ิィ⟬ ࡢྍ⬟ᛶࢆ♧၀ࡍࡿ≀࡞ࡗ࡚࠸ࡿࠋ 㸯㸧୪ิຠ⋡ࢆ࣮࢟ࣉࡋ࡞ࡀࡽࡢࡉࡽ࡞ࡿィ⟬つᶍࡢቑ㸸 8000 ཎᏊつᶍࡢ⁐ᾮ⣔࣭ᅛᾮ⏺㠃⣔ᑐࡋ࡚ࠊ࣮ࣜࢬࢼࣈࣝ࡞ DFT-MD ࢧࣥࣉࣜ ᚋࡢィ⏬ࠊᒎᮃ ࣥࢢࡀฟ᮶ࡿࡼ࠺࡞(ᩘ༑⛊/step)୪ิຠ⋡ྥୖࠋ 㸰㸧⤫ィࢧࣥࣉࣜࣥࢢᡭἲࡢᨵⰋࡼࡿ⮬⏤࢚ࢿࣝࢠ࣮ィ⟬ࡢ㧗ຠ⋡㸸 ࡞ࡋ㸦ィ⟬ࢥ࣮ࢻ᭱㐺↔Ⅼࢆᙜ࡚ࡓࡓࡵ㸧 ㄽᩥࠊㅮ₇ࠊ ࡑࡢฟ∧≀ 73 添付資料 4 ῧ㈨ᩱ㻌䠐䚷ᖹᡂ䠎䠐ᖺᗘ㻌እ㒊䜈䛾ᡂᯝⓎ⾲ ྛ㒊䛷᥎㐍䛩䜛ㄢ㢟䛻䛚䛡䜛እ㒊䜈䛾ᡂᯝⓎ⾲௳ᩘ 㒊 ✀ ู 㔜 Ⅼ 㻝 ➨ ୍ 㒊 ◊✲௦⾲⪅ ㄽ ᩥ ㄢ㢟ྡ ⏣ṇಇ 㟁Ꮚ┦㛵䛾ᙉ䛔⌧ᐇ≀㉁䛾᪂ᶵᵓゎ᫂䛸ไᚚἲ 㛤ᣅ䛻㛵䛩䜛◊✲ 㐲ᒣ㈗ᕭ ᙉ┦㛵㟁Ꮚ⣔䛾ບ㉳䝎䜲䝘䝭䜽䝇䛾◊✲ 㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛᪂䛧䛔㔞Ꮚ┦䞉㔞Ꮚ⮫⏺ ⌧㇟䛻㛵䛩䜛◊✲ ㉸㧗⢭ᗘ㟁Ꮚ≧ែィ⟬䛻䜘䜛ศᏊ䛾ᚤ⣽㔞Ꮚᵓ ኳ⬟㻌⢭୍㑻 㐀ண ᕝᓥ┤㍤ 㔜 Ⅼ 㻞 ≉ ู ᨭ 3 1 4 0 1 3 3 3 0 7 18 3 6 11 1 1 0 9 5 0 0 4 0 0 1 13 0 0 15 ᩧ⸨┿ྖ จ⦰ศᏊ⛉Ꮫ⣔䛻䛚䛡䜛ᦂ䜙䛞䛸䝎䜲䝘䝭䜽䝇 13 2 5 9 0 0 0 19 79 17 21 56 6 7 4 11 6 6 13 0 7 1 22 2 1 3 1 16 1 1 26 3 0 0 2 5 0 0 29 10 1 9 1 0 2 0 31 16 3 15 11 0 0 0 34 42 11 33 28 21 10 2 18 3 6 3 0 0 3 38 11 6 5 8 0 0 0 41 ᢲᒣ῟ ಙᐃඞᖾ ᩪ⸨ᓟ㞝 ᒸᓮ䚷㐍 ᐦᗘỗ㛵ᩘἲ䛻䜘䜛䝘䝜ᵓ㐀䛾㟁Ꮚᶵ⬟ண 䛻㛵 䛩䜛◊✲ 䝘䝜ᵓ㐀䛾㟁Ꮚ≧ែ䛛䜙ᶵᲔⓗᛶ㉁䜎䛷䛾䝬䝹䝏 䝇䜿䞊䝹䝅䝭䝳䝺䞊䝅䝵䞁 䝘䝜ᵓ㐀య䛻䛚䛡䜛ගㄏ㉳㟁Ꮚ䝎䜲䝘䝭䜽䝇䛸ග䞉㟁 Ꮚᶵ⬟ᛶ㔞Ꮚ䝕䝞䜲䝇䛾㛤Ⓨ 䝇䝢䞁䝖䝻䝙䜽䝇䠋䝬䝹䝏䝣䜵䝻䜲䝑䜽䝇䛾ᛂ⏝䜈ᣦ ྥ䛧䛯ᮦᩱ᥈⣴ ᪂ᮦᩱ᥈⣴ ཎᏊ䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛䜴䜲䝹䝇䛾ศᏊ⛉Ꮫ䛾 ᒎ㛤 ᣑᙇ䜰䞁䝃䞁䝤䝹ἲ䛻䜘䜛⏕యศᏊ䛾㧗ḟᵓ㐀䛸 ᶵ⬟䛾ゎ᫂ ᯇᯘఙᖾ 䝫䝸䝰䝹䝣䛛䜙⏕㉳䛩䜛ศᏊ㞟ᅋᶵ⬟ 31 2 9 9 4 1 0 44 ୰ᾈᕭ 䝘䝜䞉⏕ែ⣔䛾ᛂไᚚ䛸Ꮫᛂ䝎䜲䝘䝭䜽䝇 18 3 1 4 2 1 0 48 Ụཎṇ༤ ᶵ⬟ᛶศᏊタィ䠉ගᶵ⬟ศᏊ䛸㠀⥺ᙧእሙᛂ⟅ ศᏊ䛾ග≀ᛶ 38 0 6 7 27 0 5 51 ྜィ 116 14 27 31 33 2 8 ᮡ㔝ಟ 㔜Ⅼ㻢 ⏣୰⚽ᶞ ྜྷ⏣⣖⏕ ㇂ᐇ ὸ⨾༤ 㤶ᒣṇ᠇ ᨭ 3 1 㔜Ⅼ㻡 ≉ ู ᨭ 1 8 ᒣୗ୍ ➨ ᅄ 㒊 21 3 ᒸᮏ♸ᖾ ≉ ู ᨭ 6 8 ྜィ ➨ ୕ 㒊 4 12 ᖖ⾜┿ྖ 㔜Ⅼ㻠 27 ศᏊ䛻䛚䛡䜛㟁Ꮚ䛾ືⓗ㐣⛬䛸ከయ㔞ᏊືຊᏛ ᑿᙧಟྖ ➨ 㒊 䝨䞊䝆 㧗ሯኵ ྜィ 㔜Ⅼ㻟 ⥲ ᏛⓎ⾲ ᏛⓎ⾲ ཷ ㄝ ᣍᚅㅮ₇ 㻔ᰝㄞ᭷䠅 ㈹ ゎ ᅜ ᅜ ᅜ ᅜ ➼ ㄝ ෆ 㝿 ෆ 㝿 ୰㔝༤⏕ ⇞ᩱ㟁ụ㛵㐃≀㉁䛻䛚䛡䜛ᇶ♏ㄢ⛬䛾つᶍィ ⟬䛻䜘䜛◊✲ Ỉ⣲䞉䝯䝍䞁䝝䜲䝗䝺䞊䝖䛾⏕ᡂ䚸⼥ゎᶵᵓ䛸⇕ຊᏛ ⓗᏳᐃᛶ ኴ㝧㟁ụ䛻䛚䛡䜛ග㟁ኚ䛾ᇶ♏㐣⛬䛾◊✲䛸ኚ ຠ⋡᭱㐺䞉㛗ᑑ䛻䜐䛡䛯つᶍᩘ್ィ⟬ 1 0 1 3 0 1 0 57 11 3 2 4 0 1 0 58 24 4 2 4 3 4 0 60 䝞䜲䜸䝬䝇⏝䛻ྥ䛡䛯㓝⣲ᛂゎᯒ 11 1 7 6 0 0 1 63 㧗ᛶ⬟䝸䝏䜴䝮䜲䜸䞁㟁ụ䛾㛤Ⓨ䛻ྥ䛡䛯ᇶ♏ⓗ ◊✲ 䝘䝜ᵓ㐀యᮦᩱ䛻䛚䛡䜛㧗ຠ⋡㠀ᖹ⾮䜶䝛䝹䜼䞊 ኚ㐣⛬䛸䝘䝜ᵓ㐀〇䛾⌮ㄽ䝅䝭䝳䝺䞊䝅䝵䞁 㔠ᒓ⣔ᵓ㐀ᮦᩱ䛾㧗ᛶ⬟䛯䜑䛾䝬䝹䝏䝇䜿䞊⤌ ⧊タィ䞉ホ౯ᡭἲ䛾㛤Ⓨ 0 1 2 0 0 0 0 66 12 1 5 14 7 11 0 67 1 0 1 0 3 3 0 71 ྜィ 60 10 20 31 13 20 1 4 1 0 1 0 0 0 4 1 0 1 0 0 0 53 101 147 73 39 15 䜹䝂䝯᱁Ꮚᙉ☢ᛶయ䛾ཝᐦᑐゅἲ䛻䜘䜛◊✲ ྜィ ⥲ィ 301 73 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨ 1 㒊㻌 ㄢ㢟ྡ䠖㻌 ┦㛵䛾ᙉ䛔㔞Ꮚ⣔䛾᪂㔞Ꮚ┦᥈ồ䛸䝎䜲䝘䝭䝑䜽䝇䛾ゎ᫂ 㡯┠ྡ㸸㟁Ꮚ┦㛵ࡢᙉ࠸⌧ᐇ≀㉁ࡢ᪂ᶵᵓゎ᫂ไᚚἲ㛤ᣅ㛵ࡍࡿ◊✲㻌 㡯┠௦⾲⪅䠖㻌 ⏣ṇಇ㻌 ᡤᒓ䠖㻌 ᮾிᏛᏛ㝔ᕤᏛ⣔◊✲⛉㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 Kazuma Nakamura, Yoshihide Yoshimoto, Masatoshi Imada, “Ab initio two-dimensional multiband low-energy models of EtMe3Sb[Pd(dmit)2]2 and ȡ -(BEDT-TTF)2Cu(NCS)2 with comparisons to single-band models”, Phys. Rev. B 86, 205117(1-9) (2012).㻌 Ryosuke Akashi, Kazuma Nakamura, Ryotaro Arita, Ryotaro and Masatoshi Imada, "High-temperature superconductivity in layered nitrides β-LixMNCl (M = Ti, Zr, Hf): Insights from density functional theory for superconductors", Phys. Rev. B 86, 054513(1-16) (2012). Yusuke Nomura, Merzuk Kaltak, Kazuma Nakamura, Ciro Taranto, Shiro Sakai, Alessandro Toschi, Ryotaro Arita, Karsten Held, Georg Kresse, and Masatoshi Imada, "Effective on-site interaction for dynamical mean-field theory", Phys. Rev. B 86, 085117(1-8) (2012). Motoaki Hirayama, Takashi Miyake, and Masatoshi Imada, "Ab initio Low-Energy Model of Transition-Metal-Oxide Heterostructure LaAlO3/SrTiO3", J. Phys. Soc. Jpn. 81, 084708(1-9) (2012). Yuto Ito, Youhei Yamaji, and Masatoshi Imada, "Impurity Effects on Superconductivity on Surfaces of Topological Insulators", J. Phys. Soc. Jpn. 81, 084707(1-14) (2012). Takahiro Misawa, Kazuma Nakamura, and Masatoshi Imada, "Ab Initio Evidence for Strong Correlation Associated with Mott Proximity in Iron-Based Superconductors", Phys. Rev. Lett 108, 177007(1-5) (2012). Shiro Sakai, Giorgio Sangiovanni, Marcello Civelli, Yukitoshi Motome, Karsten Held, Masatoshi Imada, "Cluster-size dependence in cellular dynamical mean-field theory", Phys. Rev. B 85, 035102(1-10) (2012). R. Arita, J. Kunes, A.V. Kozhevnikov, A.G. Eguiluz, M. Imada, "Ab initio Studies on the Interplay between Spin-Orbit Interaction and Coulomb Correlation in Sr2IrO4 and Ba2IrO4", Phys. Rev. Lett. 108, 086403(1-5) (2012). Hiroshi Shinaoka, Takahiro Misawa, Kazuma Nakamura, Masatoshi Imada, "Mott Transition and Phase Diagram of κ-(BEDT-TTF)2Cu(NCS)2Studied by Two-Dimensional Model Derived from Ab initio Method", J. Phys. Soc. Jpn. 81, 034701(1-12) (2012). 1 添付資料 4 㻌 Toshihiro Sato, Yasuyuki Kato, Takafumi Suzuki, and Naoki Kawashima, “Validity of projected Gross-Pitaevskii simulation: Comparison with quantum Monte Carlo”, Phys. Rev. E 85, 050105(R) (1-4) (2012). Y. Motoyama, S. Todo, “Path-integral Monte Carlo method for the local Z2 Berry phase”, Phys. Rev. E 87, 021301(R)(1-5) (2013). H. Nakano S. Todo, T. Sakai, “Long-Range Order of the Three-Sublattice Structure in the S=1 Heisenberg Antiferromagnet on the Spatially Anisotropic Triangular Lattice”, J. Phys. Soc. Jpn. 82, 043715(1-5)(2013). Takafumi Suzuki and Masahiro Sato, “Edge state and its stability of two-dimensional quantum magnets”, Phys. Rev. B 86, 224411(1-7) (2012). Takahiro Ohgoe, Takafumi Suzuki, and Naoki Kawashima, “Quantum phase s of hard-core bosons on two-dimensional lattices with anisotropic dipole-dipole interaction”, Phys. Rev. A 86, 063635(1-6) (2012). Takahiro Ohgoe, Takafumi Suzuki, and Naoki Kawashima, “Ground-state phase diagram of the two-dimensional extended Bose-Hubbard model”, Phys. Rev. B 86, 054520(1-9) (2012). Takahiro Ohgoe, Takafumi Suzuki, and Naoki Kawashima, “Commensurate Supersolid of Three-Dimensional Lattice Bosons”, Phys. Rev. Lett. 108, 185302(1-4) (2012). Kenji Harada, “Numerical study of incommensurability of the spiral state on spin-1/2 spatially anisotropic triangular antiferromagnets using entanglement renormalization”, Phys. Rev. B 86, 184421(1-9) (2012). Tomoaki Nogawa, Nobuyasu Ito, and Hiroshi Watanabe, “Usefulness of an equal-probability assumption for out-of-equilibrium states: a master equation approach”, Phys. Rev. E 86, 41133(1-8) (2012). Hiroshi Watanabe, Nobuyasu Ito, and Chin-Kun Hu, “Phase diagram and universality of the Lennard-Jones gas-liquid system”, J. Chem. Phys. 136, 204102(1-7) (2012). Daisuke Yamamoto, Akiko Masaki, Ippei Danshita, “Quantum phases of hardcore bosons with long-range interactions on a square lattice”, Phys. Rev. B 86, 054516(1-17) (2012). Akiko Masaki, Hiroyuki Mori, “Localization of Bose-Fermi Mixtures in One-Dimensional Incommensurate Lattices ”, J. Phys.: Conf. Ser. 400, 012043(1-4) (2012). 2 添付資料 4 Akiko Masaki, Hiroyuki Mori, “Visibility Pattern of Bose-Fermi Mixtures in One-Dimensional Incommensurate Lattices”, to be published in Philosophical Magazine (2013) Akiko Masaki, Hiroyuki Mori, “Fermion-Induced Decoherence of Bosons in Optical Lattices”, to be published in J. Phys.: Conf. Ser. (2013). H. Masuda, T. Okubo, and H. Kawamura, “Finite-Temperature Transition of the Antiferromagnetic Heisenberg Model on a Distorted Kagome Lattice” Phys. Rev. Lett. 109, 057201(1-5) (2012). James S.M. Anderson, Maho Nakata, Ryo Igarashi, Katsuki Fujisawa, Makoto Yamashita, “The second-order reduced density matrix method and the two-dimensional Hubbard model”, Computational and Theoretical Chemistry, 1003, 22-27 (2013). Takahiro Ohgoe, Takafumi Suzuki, and Naoki Kawashima, “Bimodal Momentum Distribution of the High-Density Supersolid State”, Journal of Low Temperature Physics 171, 309-314 (2013) [QFS2012 proceedings]. Takahiro Ohgoe, Takafumi Suzuki, and Naoki Kawashima, “Double peaks in the momentum distribution of cold polar molecules in the supersolid state”, J. Phys.: Conf. Ser. 400, 012058(1-4) (2012) [LT26 proceedings]. 㻌 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 ⏣ṇಇ, ୕Ꮿ㝯, 䛂ㄅୖ䝉䝭䝘䞊 ➨୍ཎ⌮ィ⟬ᡭἲ䛻䜘䜛ᙉ┦㛵㟁Ꮚ䛾㟁Ꮚ≧ែ䛾ゎ᫂䠄䛭䛾 4䠅㻌 䝎䜴䞁 䝣䜷䞊䝹䝕䜱䞁䜾䛾ྫྷ䛸䛭䛾⢭⦓䛃, 䛄ᅛయ≀⌮䛅, Vol.47, pp.469-474, 2012 ᖺ.㻌 㻌 ⸨ᇽ┾, 䛂㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛᪂䛧䛔㔞Ꮚ┦䞉㔞Ꮚ⮫⏺⌧㇟䛾᥈ồ䛃, 䛄ィ⟬ᕤᏛ䛅, Vol. 17, 2841, 2012 ᖺ. ㄶゼ⚽㯢, ⸨ᇽ┾, 䛂ヲ⣽䛴䜚䛒䛔䜢‶䛯䛥䛺䛔䝬䝹䝁䝣㐃㙐䝰䞁䝔䜹䝹䝻ἲ䛸䛭䛾୍⯡䛃, 䛄ி㒔 Ꮫᩘ⌮ゎᯒ◊✲ᡤㅮ✲㘓䛅 (ᥖ㍕ணᐃ) Ώ㎶ᐂᚿ, 䛂▷㊥㞳ྂศᏊືຊᏛἲ䛾㉸୪ิィ⟬䛻ྥ䛡䛶䛃, ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁◊✲ㄅ䛄䜰䞁䝃䞁䝤 䝹䛅,Vol. 14, No. 3 (㏻ᕳ 59 ྕ), pp. 122-125, 2012 ᖺ.㻌 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 ⸨ᇽ┾, 䛂㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛᪂䛧䛔㔞Ꮚ┦䞉㔞Ꮚ⮫⏺⌧㇟䛾᥈ồ䛃, ி䝁䞁䝢䝳䞊䝍䞉䝅䞁䝫䝆䜴䝮 2012 䛚䜘䜃➨ 2 ᅇᡓ␎䝥䝻䜾䝷䝮 5 ศ㔝ྜྠ WS, 2012 ᖺ 6 ᭶ 15 ᪥, ⚄ᡞᏛ ⤫ྜ◊✲ᣐⅬ䝁䞁䝧䞁䝅 䝵䞁䝩䞊䝹. ⸨ᇽ┾, 䛂≀ᛶ≀⌮䛻䛚䛡䜛䝰䞁䝔䜹䝹䝻ἲ䛸䛭䛾つᶍ䛃, PC 䜽䝷䝇䝍䝽䞊䜽䝅䝵䝑䝥 in ᯽, 2012 ᖺ 7 3 添付資料 4 ᭶ 6 ᪥, ᮾிᏛ᯽䜻䝱䞁䝟䝇. ⸨ᇽ┾, 䛂つᶍ୪ิ㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ ALPS/looper 䛸㔞Ꮚ☢ᛶయ䜈䛾ᛂ⏝䛃, 䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍䝽 䞊䜽䝅䝵䝑䝥 2013, 2013 ᖺ 1 ᭶ 22 ᪥, ⮬↛⛉Ꮫ◊✲ᶵᵓ㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊. ⸨ᇽ┾, 䛂ḟୡ௦䛾ィ⟬≀㉁⛉Ꮫ䛻ྥ䛡䛶䛃, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 2013 ᖺ 3 ᭶ 25 ᪥, ❧㤋Ꮫ 䜃䜟䛣䞉䛟䛥䛴䜻䝱䞁䝟䝇. ཎ⏣⮬, 䛂ከయၥ㢟䛻䛚䛡䜛䝔䞁䝋䝹䝛䝑䝖䝽䞊䜽ἲ䛃, ி㒔Ꮫᩘ⌮ゎᯒ◊✲ᡤ ◊✲㞟䛂ḟୡ௦ィ⟬⛉ Ꮫ䛾ᇶ┙ᢏ⾡䛸䛭䛾ᒎ㛤䛃, 2012 ᖺ 10 ᭶ 24 ᪥, ி㒔. Ώ㎶ᐂᚿ, 䛂▷㊥㞳ྂศᏊືຊᏛィ⟬䛾㧗㏿䛸つᶍ୪ิ䛃, ➨䠒ᅇศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䝇䜽䞊䝹, 2012 ᖺ 12 ᭶ 13 ᪥, ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊. 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 Masatoshi Imada, “Ab initio studies of strongly correlated electron systems”, The 19th International Conference on Magnetism with Strongly Correlated Electron Systems (ICM2012), July 11, 2012, Busan, Korea. Masatoshi Imada, “Spin-Orbit Interactions, Topological Insulators and Topological Transitions”, 12th Japanese-German Symposium Emergent Phenomena in Novel Quantum Phases of Condensed Matter, July 14 – 17, 2012, Izu, Japan. Masatoshi Imada, “Interplay of electron correlation and spin-orbit interaction”, International Workshop on Spin-Orbit Physics in Correlated Electron Systems, July 20, 2012, Aspen, USA. Masatoshi Imada, “Theory of Pseudogap in Underdoped Cuprates”, International Conference on Materials & Mechanisms of Superconductivity (M2S 2012), August 2, 2012, Washington, USA. Masatoshi Imada, “Dynamical mean-field approach on doped Mott insulators and cuprate superconductors”, Dynamical Mean-Field Approach for Strongly Correlated Materials, September 27, 2012, Dresden, Germany. Masatoshi Imada, “Quantum Monte Carlo for strongly correlated systems”, Conference on Computational Physics (CCP2012), October 15, 2012, Kobe, Japan. Masatoshi Imada, “Iron-based Superconductors”, Workshop on Novel Materials: Adding material-specific reality in physicists' models, December 11, 2012, Natal, Brazil. Takahiro Misawa, “Ab initio study of iron-based superconductors 䇵Roles of electron correlations and large Mott proximity-“, International Conference on Heavy Electrons and Novel Quantum Phases㻌 (ICHN 2012), July 5, 2012, Gyeongju, Korea. 4 添付資料 4 Youhei Yamaji, “Mott Physics on Edge Transports of Topological Insulators Induced by Strong Spin-orbit Couplings”, International Symposium on Computational Science 2013, February 19, 2013, Kanazawa, Japan. Morita Satoshi, "Many-variable variational Monte-Carlo method", GCOE interdisciplinary workshop on numerical methods for many-body correlations, February 5, 2013, Tokyo, Japan. 㻌 Naoki Kawashima, “Superfluidity and Supersolidity of Lattice Models”, CQDC12, Oct. 30, 2012, Juelich, Germany. Naoki Kawashima, “Superfluidity and Supersolidity of Lattice Models”, Supersolidity in Nature, Jun. 11, 2012, RIKEN, Wako, Japan. Naoki Kawashima, “Quantum Monte Carlo study of SU(N) J-Q models”, Impurities and Textures in Unconventional Magnets, Apr. 2, 2012, MPIPKS, Dresden, Germany. Synge Todo, “The ALPS project: Open source software for strongly correlated systems”, CCP2012: Conference on Computational Physics, Oct. 17, 2012, Kobe, Japan. Synge Todo, “Quantum Monte Carlo level spectroscopy”, CQDC'12 International Workshop on Cooperative Quantum Dynamics and Its Control, Oct.30, 2012, Julich, Germany. Synge Todo, “Next-generation quantum Monte Carlo simulation of strongly correlated materials on peta-scale supercomputer”, IEEE CPMT Symposium Japan 2012, Nov. 11-13, 2012, Kyoto, Japan. Takafumi Suzuki, “Edge states in two dimensional spin and bosonic systems”, Current Topics in Theory of Correlated Materials, Sep. 12, 2012, Wako, Japan. Kenji Harada, "Numerical study of quantum frustrated magnets using entanglement renormalization", International Workshop on Cooperative Quantum Dynamics and Its Control (CQDC'12), October 30, 2012, Jülich Supercomputing Centre (JSC), Germany. T. Okubo, “Ordering and Dynamics of Topological Excitations in Frustrated Magnets”, 26th Annual CSP Workshop “Recent Developments in Computer Simulation Studies in Condensed Matter Physics”, Feb. 26, 2013, University of Georgia, Athens, USA. Takahiro Ohgoe, “Supersolid and quantum phase transitions in cold lattice bosons”, International Workshop on Recent Developments of Studies on Phase Transitions 2012, Jun. 19, 2012, Tokyo, Japan. Takahiro Ohgoe, “Commensurate supersolid of lattice bosons”, GCOE㻌 International Symposium on 5 添付資料 4 Physical Sciences Frontier, Dec. 8 - 9, 2012, Tokyo, Japan. 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㕥ᮌ㻌 㝯ྐ, 䛂䠎ḟඖᙉ☢ᛶ㔞Ꮚ䝇䝢䞁⣔䛾➃≧ែ䛃䠈Physics of Quantum Spin Systems䠈2012 ᖺ 11 ᭶ 13 ᪥, ி㒔ᕷ. 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 M. Hirayama, T. Miyake, and M. Imada, “Derivation of Static Low-energy Effective Models by ab initio Downfolding Method without Double Counting of Coulomb Correlations”, International Symposium on Computics: Quantum Simulation ad Design (ISC-QSD), October 11 - 13, 2013, Osaka, Japan. S. Morita, R. Kaneko, and M. Imada, “Many-variable variational Monte Carlo calculations of the J1-J2 Heisenberg model”, Conference on Computational Physics (CCP2012), Oct. 15, 2012, Kobe, Japan. Kenji Harada, "Numerical study of incommensurability of the spiral state on spin-1/2 spatially anisotropic triangular antiferromagnets using entanglement renormalization", Conference on Computational Physics (CCP2012) for Physics, Chemistry, Biology, Engineering and related academic fields and industrial applications, October 15, 2012, Kobe, Japan. 㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 ⏣ṇಇ㻘㻌 䛄ᒾἼ⛉Ꮫィ⟬⛉Ꮫ䠏㻌 ィ⟬䛸≀㉁䛅䠄ᒾἼ᭩ᗑ㻘㻌㻞㻜㻝㻞䠅㻌 㻔ඹⴭ䠅㻌 㻌 S. Todo, “Loop Algorithm”, in “Strongly Correlated Systems: Numerical Methods” (Springer Series in Solid-State Sciences), Ed. A. Avella and F. Mancini (Springer, Berlin, 2013). 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 ᭷⏣ுኴ㑻㻌 㻌 㻞㻜㻝㻞 ᖺ 㻠 ᭶㻌 ᩥ㒊⛉Ꮫ⮧⾲ᙲ㻌 ⱝᡭ⛉Ꮫ⪅㈹㻌 ᳃⏣ᝅྐ㻌 㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶㻌 㻯㻹㻿㻵㻌 ⱝᡭዡບ㈹㻌 㔠Ꮚ㝯ጾ㻌 㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶㻌 㻯㻹㻿㻵㻌 䝫䝇䝍䞊㈹㻌 6 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨୍㒊㻌 ㄢ㢟ྡ䠖㻌 ┦㛵䛾ᙉ䛔㔞Ꮚ⣔䛾᪂㔞Ꮚ┦᥈ồ䛸䝎䜲䝘䝭䝑䜽䝇䛾ゎ᫂㻌 㡯┠ྡ䠖㻌 ᙉ┦㛵㟁Ꮚ⣔䛾ບ㉳䝎䜲䝘䝭䜽䝇䛾◊✲㻌 㡯┠௦⾲⪅䠖㻌 㐲ᒣ㈗ᕫ㻌 ᡤᒓ䠖㻌 ி㒔Ꮫᇶ♏≀⌮Ꮫ◊✲ᡤ㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 㻝㻕㻌㼆㻚㻌 㻸㼕㻘㻌㻾㻚㻌㻸㼍㼟㼗㼛㼣㼟㼗㼕㻘㻌 㼀㻚㻌㻵㼕㼠㼍㼗㼍㻘㻌㼍㼚㼐㻌 㼀㻚㻌 㼀㼛㼔㼥㼍㼙㼍㻘㻌㻎㻲㼕㼞㼟㼠㻙㼜㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌㼏㼍㼘㼏㼡㼘㼍㼠㼕㼛㼚㻌㼛㼒㻌 㼔㼑㼘㼕㼏㼍㼘㻌 㼟㼜㼕㼚㻌㼛㼞㼐㼑㼞㻌 㼕㼚㻌 㼕㼞㼛㼚㻌 㼜㼑㼞㼛㼢㼟㼗㼕㼠㼑㻌㻿㼞㻲㼑㻻㻟㻌㼍㼚㼐㻌㻮㼍㻲㼑㻻㻟㻎㻘㻌㻼㼔㼥㼟㼕㼏㼍㼘㻌㻾㼑㼢㼕㼑㼣㻌㻮㻌㻤 㻤㻡㻘㻌㻝㻟㻠㻠㻝㻥㻌㻔㻝㻙㻡㻕㻌㻔㻞㻜㻝㻞㻕㻌 㻞㻕㻌㼆㻚㻌㻸㼕㻘㻌㼀㻚㻌㻵㼕㼠㼍㼗㼍㻘㻌㼍㼚㼐㻌㼀㻚㻌㼀㼛㼔㼥㼍㼙㼍㻘㻌㻎㻼㼞㼑㼟㼟㼡㼞㼑㻙㼕㼚㼐㼡㼏㼑㼐㻌㼒㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㼕㼟㼙㻌㼕㼚㻌㼏㼡㼎㼕㼏㻌㼜㼑㼞㼛㼢㼟㼗㼕㼠㼑㻌㻿㼞㻲㼑㻻㻟㻌㼍㼚㼐㻌㻮㼍㻲㼑㻻㻟㻎㻘㻌 㻼㼔㼥㼟㼕㼏㼍㼘㻌㻾㼑㼢㼕㼑㼣㻌㻮㻌㻤 㻤㻢㻘㻌㻜㻥㻠㻠㻞㻞㻌㻔㻝㻙㻠㻕㻌㻔㻞㻜㻝㻞㻕㻌 㻟㻕㻌 㻴㻚㻌 㻸㼡㻘㻌 㻿㻚㻌 㻿㼛㼠㼍㻘㻌 㻴㻚㻌 㻹㼍㼠㼟㼡㼑㼐㼍㻘㻌 㻶㻚㻌 㻮㼛㼚㼏㼍㻘㻌 㼍㼚㼐㻌 㼀㻚㻌 㼀㼛㼔㼥㼍㼙㼍㻘㻌 㻎㻱㼚㼔㼍㼚㼏㼑㼐㻌 㻯㼔㼍㼞㼓㼑㻌 㻻㼞㼐㼑㼞㻌 㼕㼚㻌 㼍㻌 㻼㼔㼛㼠㼛㼑㼤㼏㼕㼠㼑㼐㻌 㻻㼚㼑㻙㻰㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㻿㼠㼞㼛㼚㼓㼘㼥㻌㻯㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌㻿㼥㼟㼠㼑㼙㻎㻘㻌㻼㼔㼥㼟㼕㼏㼍㼘㻌㻾㼑㼢㼕㼑㼣㻌㻸㼑㼠㼠㼑㼞㼟㻌㻝㻝㻜㻥㻘㻌㻝㻥㻣㻠㻜㻝㻌㻔㻝㻙㻠㻕㻌㻔㻞㻜㻝㻞㻕㻌 㻠㻕㻌 㻷㻚㻌 㻷㼛㼎㼍㼥㼍㼟㼔㼕㻘㻌 㻹㻚㻌 㻻㼗㼡㼙㼡㼞㼍㻘㻌 㼅㻚㻻㼠㼍㻘㻌 㻿㻚㻌 㼅㼍㼙㼍㼐㼍㻘㻌 㻹㻚㻌 㻹㼍㼏㼔㼕㼐㼍㻌 䇾㻺㼛㼚㼠㼞㼕㼢㼕㼍㼘㻌 㻴㼍㼘㼐㼍㼚㼑㻌 㼜㼔㼍㼟㼑㻌 㼛㼒㻌 㼍㼚㻌 㼍㼠㼛㼙㼕㼏㻌 㼠㼣㼛㻙㼏㼛㼙㼜㼛㼚㼑㼚㼠㻌㻲㼑㼞㼙㼕㻌㼓㼍㼟㻌㼠㼞㼍㼜㼜㼑㼐㻌㼕㼚㻌㼍㻌㻝㼐㻌㼛㼜㼠㼕㼏㼍㼘㻌㼘㼍㼠㼠㼕㼏㼑䇿㻘㻌㻼㼔㼥㼟㼕㼏㼍㼘㻌㻾㼑㼢㼕㼑㼣㻌㻸㼑㼠㼠㼑㼞㼟㻌㻝 㻝㻜㻥㻘㻌㻞㻟㻡㻟㻜㻞㻔㻝㻙㻡㻕㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 㻌 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 㻝㻕㻌 㐲ᒣ㈗ᕫ䚸䛂ᙉ┦㛵㟁Ꮚ⣔䛾ගㄏ㉳ບ㉳䝎䜲䝘䝭䜽䝇䛃䚸᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ㡿ᇦ 㻡䚸⌮ㄽ᰾≀ ⌮㡿ᇦ䚸ᐇ㦂᰾≀⌮㡿ᇦྜྠ䝅䞁䝫䝆䜴䝮䛂㠀ᖹ⾮≀⌮㻌 䇵㻌 ≀ᛶ≀⌮䛸䝝䝗䝻䞁≀⌮䜢⤖䜆ୡ⏺䛃䚸㻞㻜㻝㻟 ᖺ 㻟 ᭶ ᗈᓥᏛ㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻝㻕㻌㼀㻚㻌㼀㼛㼔㼥㼍㼙㼍㻘㻌㻎㻺㼛㼚㼑㼝㼡㼕㼘㼕㼎㼞㼕㼡㼙㻌㼜㼔㼛㼠㼛㻌㼐㼥㼚㼍㼙㼕㼏㼟㻌㼛㼒㻌㼘㼛㼣㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㼟㼠㼞㼛㼚㼓㼘㼥㻌㼏㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌㼑㼘㼑㼏㼠㼞㼛㼚㻌㼟㼥㼟㼠㼑㼙㼟㻎㻘㻌㼀㼔㼑㻌 㻷㼛㼞㼑㼍㼚㻌㻼㼔㼥㼟㼕㼏㼍㼘㻌㻿㼛㼏㼕㼑㼠㼥㻌㻹㼑㼑㼠㼕㼚㼓㻘㻌㻭㼜㼞㼕㼘㻘㻌㻞㻜㻝㻞㻘㻌㻰㼍㼖㼑㼛㼚㻘㻌㻷㻻㻾㻱㻭㻌 㻞㻕㻌㼀㻚㻌㼀㼛㼔㼥㼍㼙㼍㻘㻌㻎 㻼㼞㼑㼟㼟㼡㼞㼑㻙㻵㼚㼐㼡㼏㼑㼐㻌㻲㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㼕㼟㼙㻌㼕㼚㻌㻯㼡㼎㼕㼏㻌㻼㼑㼞㼛㼢㼟㼗㼕㼠㼑㻌㻭㻲㼑㻻㻟㻌㻔㻭㻩㻿㼞㻌㼍㼚㼐㻌㻮㼍㻕㻎㻘㻌㼀㼔㼑㻌㻢㼠㼔㻌㻭㼟㼕㼍㼚㻌 㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻴㼕㼓㼔㻌㻼㼞㼑㼟㼟㼡㼞㼑㻘㻌㻭㼡㼓㼡㼟㼠㻘㻌㻞㻜㻝㻞㻘㻌㻮㼑㼕㼖㼕㼚㼓㻘㻌㻯㻴㻵㻺㻭㻌 㻟㻕㻌 㼀㻚㻌 㼀㼛㼔㼥㼍㼙㼍㻘㻌 㻎 㻺㼛㼚㼑㼝㼡㼕㼘㼕㼎㼞㼕㼡㼙㻌 㼜㼔㼛㼠㼛㻌 㼐㼥㼚㼍㼙㼕㼏㼟㻌 㼛㼒㻌 㼘㼛㼣㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㼟㼠㼞㼛㼚㼓㼘㼥㻌 㼏㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌 㼑㼘㼑㼏㼠㼞㼛㼚㻌 㼟㼥㼟㼠㼑㼙㼟㻎㻘㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻱㼘㼑㼏㼠㼞㼛㼚㼕㼏㻌㻿㼠㼍㼠㼑㼟㻌㼍㼚㼐㻌㻼㼔㼍㼟㼑㼟㻌㻵㼚㼐㼡㼏㼑㼐㻌㼎㼥㻌㻱㼘㼑㼏㼠㼞㼕㼏㻌㼛㼞㻌㻻㼜㼠㼕㼏㼍㼘㻌㻵㼙㼜㼍㼏㼠㼟㻘㻌㻿㼑㼜㼠㼑㼙㼎㼑㼞㻘㻌 㻞㻜㻝㻞㻘㻌㻻㼞㼟㼍㼥㻘㻌㻲㻾㻭㻺㻯㻱㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻝㻕㻌 ᭮⏣⦾㻘㻌 ᰆᮌΎྖ㻘㻌 㐲ᒣ㈗ᕫ㻘㻌 䇾ືⓗᐦᗘ⾜ิ⧞䜚㎸䜏⩌ἲ䛻䜘䜛୍ḟඖ 㻹㼛㼠㼠 ⤯⦕య䛾㠀⥺ᙧගᏛᛂ ⟅䛾◊✲䇿㻘㻌 ᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ㻘㻌 㻌 㻞㻜㻝㻟㻚㻌㻟㻘㻌 ᗈᓥᏛ㻌 ᑠᯘᜨኴ䚸ዟᮧ㞞ᙪ䚸ኴ⏣ᖾᏹ䚸ᒣ⏣㐍䚸⏫⏣ᫀᙪ䚸䇾䝬䝹䝏䝞䞁䝗䜢ᣢ䛴ගᏛ᱁Ꮚ୰䛾ᘬຊ䝣䜵䝹䝭ཎᏊ Ẽయ䛾ゎᯒ͇䚸᪥ᮏ≀⌮Ꮫ ᖺ⛅Ꮨᶓᅜ❧Ꮫ ᑠᯘᜨኴ䚸ዟᮧ㞞ᙪ䚸ᒣ⏣㐍䚸⏫⏣ᫀᙪ䚸䇾ከ㌶㐨䝣䜵䝹䝭ཎᏊẼయ䛻䛚䛡䜛ᙉ☢ᛶ䛾ゎᯒ䚸᪥ᮏ≀ 7 添付資料 4 ⌮Ꮫ͇㻌㻘㻌 ᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ㻘㻌 㻌 㻞㻜㻝㻟㻚㻌㻟㻘㻌 ᗈᓥᏛ㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻝㻕㻌㻿㻚㻌㻿㼛㼠㼍㻘㻌㻿㻚㻌㼅㼡㼚㼛㼗㼕㻘㻌㼍㼚㼐㻌㼀㻚㻌㼀㼛㼔㼥㼍㼙㼍㻘㻌㻎㻰㼥㼚㼍㼙㼕㼏㼍㼘㻌㼐㼑㼚㼟㼕㼠㼥㻌㼙㼍㼠㼞㼕㼤㻌㼞㼑㼚㼛㼞㼙㼍㼘㼕㼦㼍㼠㼕㼛㼚㻌㼓㼞㼛㼡㼜㻌㼟㼠㼡㼐㼥㻌㼛㼒㻌㼚㼛㼚㻙㼘㼕㼚㼑㼍㼞㻌 㼛㼜㼠㼕㼏㼍㼘㻌㼞㼑㼟㼜㼛㼚㼟㼑㻌㼛㼒㻌㼛㼚㼑㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㼟㼠㼞㼛㼚㼓㼘㼥㻌㼏㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌㼑㼘㼑㼏㼠㼞㼛㼚㻌㼟㼥㼟㼠㼑㼙㻎㻘㻌㻭㻼㻿㻌㼙㼍㼞㼏㼔㻌㼙㼑㼑㼠㼕㼚㼓㻌㻞㻜㻝㻟㻘㻌㻞㻜㻝㻟㻛㻟㻛㻝㻥㻘㻌 㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌㼁㻿㻭㻌 㻞㻕㻌 㻴㻚㻌 㻸㼡㻘㻌 㻿㻚㻌 㻿㼛㼠㼍㻘㻌 㻴㻚㻌 㻹㼍㼠㼟㼡㼑㼐㼍㻘㻌 㻶㻚㻌 㻮㼛㼚㼏㼍㻘㻌 㼍㼚㼐㻌 㼀㻚㻌 㼀㼛㼔㼥㼍㼙㼍㻘㻌 㻎㻱㼚㼔㼍㼚㼏㼑㼙㼑㼚㼠㻌 㼛㼒㻌 㼏㼔㼍㼞㼓㼑㻌 㼍㼚㼐㻌 㼟㼜㼕㼚㻌 㼛㼞㼐㼑㼞㼟㻌 㼕㼚㻌 㼍㻌 㼜㼛㼠㼛㼑㼤㼏㼕㼠㼑㼐㻌 㼛㼚㼑㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㼟㼠㼞㼛㼚㼓㼘㼥㻌 㼏㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌 㼟㼥㼟㼠㼑㼙㻎㻘㻌 㻭㻼㻿㻌 㼙㼍㼞㼏㼔㻌 㼙㼑㼑㼠㼕㼚㼓㻌 㻞㻜㻝㻟㻘㻌 㻞㻜㻝㻟㻛㻟㻛㻝㻥㻘㻌 㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌 㼁㻿㻭㻌 㻟㻕㻌 㻷㻚㻌 㻷㼛㼎㼍㼥㼍㼟㼔㼕㻘㻌 㼅㻚㻌 㻻㼠㼍㻘㻌 㼍㼚㼐㻌 㻹㻚㻌 㻹㼍㼏㼔㼕㼐㼍㻘㻌 㻎㻭㼚㼍㼘㼥㼟㼕㼟㻌 㼛㼒㻌 㼙㼡㼘㼠㼕㻌 㼎㼍㼚㼐㻌 㼟㼡㼜㼑㼞㼏㼛㼚㼐㼡㼏㼠㼛㼞㻦㻌 㼒㼞㼡㼟㼠㼞㼍㼠㼑㼐㻌 㼟㼜㼕㼚㻌 㼙㼛㼐㼑㼘㻌 㼍㼜㼜㼞㼛㼍㼏㼔㻎㻘㻌㼠㼔㼑㻌㻞㻡㼠㼔㻌㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㻿㼥㼙㼜㼛㼟㼕㼡㼙㻌㼛㼚㻌㻿㼡㼜㼑㼞㼏㼛㼚㼐㼡㼏㼠㼕㼢㼕㼠㼥㻘㻌㻞㻜㻝㻞㻛㻝㻞㻛㻟㻙㻡㻘㻌㼀㼛㼗㼥㼛㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 8 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨䠍㒊㻌 ㄢ㢟ྡ䠖㻌 ┦㛵䛾ᙉ䛔㔞Ꮚ⣔䛾᪂㔞Ꮚ┦᥈ồ䛸䝎䜲䝘䝭䝑䜽䝇䛾ゎ᫂㻌 㡯┠ྡ䠖㻌 㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛᪂䛧䛔㔞Ꮚ┦䞉㔞Ꮚ⮫⏺⌧㇟䛻㛵䛩䜛◊✲㻌 㡯┠௦⾲⪅䠖㻌 ᕝᓥ┤㍤㻌 ᡤᒓ䠖㻌 ᮾ≀ᛶ◊㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 㻙㻌㼀㼛㼟㼔㼕㼔㼕㼞㼛㻌㻿㼍㼠㼛㻘㻌㼅㼍㼟㼡㼥㼡㼗㼕㻌㻷㼍㼠㼛㻘㻌㼀㼍㼗㼍㼒㼡㼙㼕㻌㻿㼡㼦㼡㼗㼕㻘㻌㼍㼚㼐㻌㻺㼍㼛㼗㼕㻌㻷㼍㼣㼍㼟㼔㼕㼙㼍㻘㻌㼂㼍㼘㼕㼐㼕㼠㼥㻌㼛㼒㻌㼜㼞㼛㼖㼑㼏㼠㼑㼐㻌㻳㼞㼛㼟㼟㻙㻼㼕㼠㼍㼑㼢㼟㼗㼕㼕㻌 㼟㼕㼙㼡㼘㼍㼠㼕㼛㼚㻦㻌㻯㼛㼙㼜㼍㼞㼕㼟㼛㼚㻌㼣㼕㼠㼔㻌㼝㼡㼍㼚㼠㼡㼙㻌㻹㼛㼚㼠㼑㻌㻯㼍㼞㼘㼛㻘㻌㻼㼔㼥㼟㻚㻌㻾㼑㼢㻚㻌㻱㻌㻤㻡㻘㻌㻜㻡㻜㻝㻜㻡㻔㻾㻕㻌㻔㻝㻙㻠㻕㻌㻔㻞㻜㻝㻞㻕㻌 㻙㻌㼅㻚㻌㻹㼛㼠㼛㼥㼍㼙㼍㻘㻌㻿㻚㻌㼀㼛㼐㼛㻘㻌䇾㻼㼍㼠㼔㻙㼕㼚㼠㼑㼓㼞㼍㼘㻌㻹㼛㼚㼠㼑㻌㻯㼍㼞㼘㼛㻌㼙㼑㼠㼔㼛㼐㻌㼒㼛㼞㻌㼠㼔㼑㻌㼘㼛㼏㼍㼘㻌㼆㻞㻌㻮㼑㼞㼞㼥㻌㼜㼔㼍㼟㼑䇿㻘㻌㻼㼔㼥㼟㻚㻌㻾㼑㼢㻚㻌㻱㻌㻤㻣㻘㻌 㻜㻞㻝㻟㻜㻝㻔㻾㻕㻌㻔㻞㻜㻝㻟㻕㻚㻌 㻙㻴㻚㻌㻺㼍㼗㼍㼚㼛㻌㻿㻚㻌㼀㼛㼐㼛㻘㻌㼀㻚㻌㻿㼍㼗㼍㼕㻘㻌䇾㻸㼛㼚㼓㻙㻾㼍㼚㼓㼑㻌㻻㼞㼐㼑㼞㻌㼛㼒㻌㼠㼔㼑㻌㼀㼔㼞㼑㼑㻙㻿㼡㼎㼘㼍㼠㼠㼕㼏㼑㻌㻿㼠㼞㼡㼏㼠㼡㼞㼑㻌㼕㼚㻌㼠㼔㼑㻌㻿㻩㻝㻌㻴㼑㼕㼟㼑㼚㼎㼑㼞㼓㻌 㻭㼚㼠㼕㼒㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㻌㼛㼚㻌㼠㼔㼑㻌㻿㼜㼍㼠㼕㼍㼘㼘㼥㻌㻭㼚㼕㼟㼛㼠㼞㼛㼜㼕㼏㻌㼀㼞㼕㼍㼚㼓㼡㼘㼍㼞㻌㻸㼍㼠㼠㼕㼏㼑䇿㻘㻌㻶㻚㻌㻼㼔㼥㼟㻚㻌㻿㼛㼏㻚㻌㻶㼜㼚㻚㻌㻤㻞㻘㻌㻜㻠㻟㻣㻝㻡㻌 㻔㻞㻜㻝㻟㻕㻚㻌 㻙㼀㼍㼗㼍㼒㼡㼙㼕㻌㻿㼡㼦㼡㼗㼕㻌㼍㼚㼐㻌㻹㼍㼟㼍㼔㼕㼞㼛㻌㻿㼍㼠㼛㻘㻌㻱㼐㼓㼑㻌㼟㼠㼍㼠㼑㻌㼍㼚㼐㻌㼕㼠㼟㻌㼟㼠㼍㼎㼕㼘㼕㼠㼥㻌㼛㼒㻌㼠㼣㼛㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㼝㼡㼍㼚㼠㼡㼙㻌㼙㼍㼓㼚㼑㼠㼟㻘㻌㻼㼔㼥㼟㻚㻌 㻾㼑㼢㻚㻌㻮㻌㻤㻢㻘㻌㻞㻞㻠㻠㻝㻝㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻙㼀㼍㼗㼍㼔㼕㼞㼛㻌 㻻㼔㼓㼛㼑㻘㻌 㼀㼍㼗㼍㼒㼡㼙㼕㻌 㻿㼡㼦㼡㼗㼕㻘㻌 㼍㼚㼐㻌 㻺㼍㼛㼗㼕㻌 㻷㼍㼣㼍㼟㼔㼕㼙㼍㻘㻌 㻽㼡㼍㼚㼠㼡㼙㻌 㼜㼔㼍㼟㼑㻌 㼟㻌 㼛㼒㻌 㼔㼍㼞㼐㻙㼏㼛㼞㼑㻌 㼎㼛㼟㼛㼚㼟㻌 㼛㼚㻌 㼠㼣㼛㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㼘㼍㼠㼠㼕㼏㼑㼟㻌㼣㼕㼠㼔㻌㼍㼚㼕㼟㼛㼠㼞㼛㼜㼕㼏㻌㼐㼕㼜㼛㼘㼑㻙㼐㼕㼜㼛㼘㼑㻌㼕㼚㼠㼑㼞㼍㼏㼠㼕㼛㼚㻘㻌㻼㼔㼥㼟㻚㻌㻾㼑㼢㻚㻌㻭㻌㻤㻢㻘㻌㻜㻢㻟㻢㻟㻡㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻙㼀㼍㼗㼍㼔㼕㼞㼛㻌㻻㼔㼓㼛㼑㻘㻌㼀㼍㼗㼍㼒㼡㼙㼕㻌㻿㼡㼦㼡㼗㼕㻘㻌㼍㼚㼐㻌㻺㼍㼛㼗㼕㻌㻷㼍㼣㼍㼟㼔㼕㼙㼍㻘㻌㻳㼞㼛㼡㼚㼐㻙㼟㼠㼍㼠㼑㻌㼜㼔㼍㼟㼑㻌㼐㼕㼍㼓㼞㼍㼙㻌㼛㼒㻌㼠㼔㼑㻌㼠㼣㼛㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㼑㼤㼠㼑㼚㼐㼑㼐㻌㻮㼛㼟㼑㻙㻴㼡㼎㼎㼍㼞㼐㻌㼙㼛㼐㼑㼘㻘㻌㻼㼔㼥㼟㻚㻌㻾㼑㼢㻚㻌㻮㻌㻤㻢㻘㻌㻜㻡㻠㻡㻞㻜㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻙㼀㼍㼗㼍㼔㼕㼞㼛㻌 㻻㼔㼓㼛㼑㻘㻌 㼀㼍㼗㼍㼒㼡㼙㼕㻌 㻿㼡㼦㼡㼗㼕㻘㻌 㼍㼚㼐㻌 㻺㼍㼛㼗㼕㻌 㻷㼍㼣㼍㼟㼔㼕㼙㼍㻘㻌 㻯㼛㼙㼙㼑㼚㼟㼡㼞㼍㼠㼑㻌 㻿㼡㼜㼑㼞㼟㼛㼘㼕㼐㻌 㼛㼒㻌 㼀㼔㼞㼑㼑㻙㻰㻵㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㻸㼍㼠㼠㼕㼏㼑㻌㻮㼛㼟㼛㼚㼟㻘㻌㻼㼔㼥㼟㻚㻌㻾㼑㼢㻚㻌㻸㼑㼠㼠㻚㻌㻝㻜㻤㻘㻌㻝㻤㻡㻟㻜㻞㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻙㻌㻷㼑㼚㼖㼕㻌㻴㼍㼞㼍㼐㼍㻘㻌 䇾㻺㼡㼙㼑㼞㼕㼏㼍㼘㻌 㼟㼠㼡㼐㼥㻌㼛㼒㻌 㼕㼚㼏㼛㼙㼙㼑㼚㼟㼡㼞㼍㼎㼕㼘㼕㼠㼥㻌 㼛㼒㻌 㼠㼔㼑㻌 㼟㼜㼕㼞㼍㼘㻌 㼟㼠㼍㼠㼑㻌 㼛㼚㻌 㼟㼜㼕㼚㻙㻝㻛㻞㻌 㼟㼜㼍㼠㼕㼍㼘㼘㼥㻌 㼍㼚㼕㼟㼛㼠㼞㼛㼜㼕㼏㻌 㼠㼞㼕㼍㼚㼓㼡㼘㼍㼞㻌㼍㼚㼠㼕㼒㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㼟㻌㼡㼟㼕㼚㼓㻌㼑㼚㼠㼍㼚㼓㼘㼑㼙㼑㼚㼠㻌㼞㼑㼚㼛㼞㼙㼍㼘㼕㼦㼍㼠㼕㼛㼚䇿㻘㻌㻼㼔㼥㼟㼕㼏㼍㼘㻌㻾㼑㼢㼕㼑㼣㻌㻮㻘㻌㼢㼛㼘㻚㻌㻤㻢㻘㻌㼜㼜㻚㻌㻝㻤㻠㻠㻞㻝㻘㻌㻞㻜㻝㻞㻚㻌 㻙㻌㼀㼛㼙㼛㼍㼗㼕㻌㻺㼛㼓㼍㼣㼍㻘㻌㻺㼛㼎㼡㼥㼍㼟㼡㻌㻵㼠㼛㻘㻌㼍㼚㼐㻌㻴㼕㼞㼛㼟㼔㼕㻌㼃㼍㼠㼍㼚㼍㼎㼑㻌 㼁㼟㼑㼒㼡㼘㼚㼑㼟㼟㻌㼛㼒㻌㼍㼚㻌㼑㼝㼡㼍㼘㻙㼜㼞㼛㼎㼍㼎㼕㼘㼕㼠㼥㻌㼍㼟㼟㼡㼙㼜㼠㼕㼛㼚㻌㼒㼛㼞㻌㼛㼡㼠㻙㼛㼒㻙㼑㼝㼡㼕㼘㼕㼎㼞㼕㼡㼙㻌㼟㼠㼍㼠㼑㼟㻦㻌㼍㻌㼙㼍㼟㼠㼑㼞㻌㼑㼝㼡㼍㼠㼕㼛㼚㻌㼍㼜㼜㼞㼛㼍㼏㼔㻌 㻼㼔㼥㼟㻚㻌㻾㼑㼢㻚㻌㻱㻌㻤 㻤㻢㻌㻠㻝㻝㻟㻟㻌㻔㻞㻜㻝㻞㻕㻌 㻙㻴㼕㼞㼛㼟㼔㼕㻌㼃㼍㼠㼍㼚㼍㼎㼑㻘㻌㻺㼛㼎㼡㼥㼍㼟㼡㻌㻵㼠㼛㻘㻌㼍㼚㼐㻌㻯㼔㼕㼚㻙㻷㼡㼚㻌㻴㼡㻌 㻼㼔㼍㼟㼑㻌㼐㼕㼍㼓㼞㼍㼙㻌㼍㼚㼐㻌㼡㼚㼕㼢㼑㼞㼟㼍㼘㼕㼠㼥㻌㼛㼒㻌㼠㼔㼑㻌㻸㼑㼚㼚㼍㼞㼐㻙㻶㼛㼚㼑㼟㻌㼓㼍㼟㻙㼘㼕㼝㼡㼕㼐㻌㼟㼥㼟㼠㼑㼙㻌 㻶㻚㻌㻯㼔㼑㼙㻚㻌㻼㼔㼥㼟㻚㻌㻝 㻝㻟㻢㻌㻞㻜㻠㻝㻜㻞㻌㻔㻞㻜㻝㻞㻕㻌 㻙㻰㼍㼕㼟㼡㼗㼑㻌㼅㼍㼙㼍㼙㼛㼠㼛㻘㻌㻭㼗㼕㼗㼛㻌㻹㼍㼟㼍㼗㼕㻘㻌㻵㼜㼜㼑㼕㻌㻰㼍㼚㼟㼔㼕㼠㼍㻌 䇾㻽㼡㼍㼚㼠㼡㼙㻌㼜㼔㼍㼟㼑㼟㻌㼛㼒㻌㼔㼍㼞㼐㼏㼛㼞㼑㻌㼎㼛㼟㼛㼚㼟㻌㼣㼕㼠㼔㻌㼘㼛㼚㼓㻙㼞㼍㼚㼓㼑㻌㼕㼚㼠㼑㼞㼍㼏㼠㼕㼛㼚㼟㻌㼛㼚㻌㼍㻌㼟㼝㼡㼍㼞㼑㻌㼘㼍㼠㼠㼕㼏㼑䇿㻌 㻼㼔㼥㼟㼕㼏㼍㼘㻌㻾㼑㼢㼕㼑㼣㻌㻮㻌㻤㻢㻌㻔㻞㻜㻝㻞㻕㻌㻜㻡㻠㻡㻝㻢㻌 㻙㻭㼗㼕㼗㼛㻌㻹㼍㼟㼍㼗㼕㻘㻌㻴㼕㼞㼛㼥㼡㼗㼕㻌㻹㼛㼞㼕㻌 䇾㻸㼛㼏㼍㼘㼕㼦㼍㼠㼕㼛㼚㻌㼛㼒㻌㻮㼛㼟㼑㻙㻲㼑㼞㼙㼕㻌㻹㼕㼤㼠㼡㼞㼑㼟㻌㼕㼚㻌㻻㼚㼑㻙㻰㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㻵㼚㼏㼛㼙㼙㼑㼚㼟㼡㼞㼍㼠㼑㻌㻸㼍㼠㼠㼕㼏㼑㼟㻌䇿㻌 㻶㼛㼡㼞㼚㼍㼘㻌㼛㼒㻌㼜㼔㼥㼟㼕㼏㼟㻦㻌㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㻿㼑㼞㼕㼑㼟㻌㻠㻜㻜㻌㻔㻞㻜㻝㻞㻕㻌㻜㻝㻞㻜㻠㻟㻌 㻙㻭㼗㼕㼗㼛㻌㻹㼍㼟㼍㼗㼕㻘㻌㻴㼕㼞㼛㼥㼡㼗㼕㻌㻹㼛㼞㼕㻌 䇾㼂㼕㼟㼕㼎㼕㼘㼕㼠㼥㻌㻼㼍㼠㼠㼑㼞㼚㻌㼛㼒㻌㻮㼛㼟㼑㻙㻲㼑㼞㼙㼕㻌㻹㼕㼤㼠㼡㼞㼑㼟㻌㼕㼚㻌㻻㼚㼑㻙㻰㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㻵㼚㼏㼛㼙㼙㼑㼚㼟㼡㼞㼍㼠㼑㻌㻸㼍㼠㼠㼕㼏㼑㼟䇿㻌 㼠㼛㻌㼎㼑㻌㼜㼡㼎㼘㼕㼟㼔㼑㼐㻌㼕㼚㻌㻼㼔㼕㼘㼛㼟㼛㼜㼔㼕㼏㼍㼘㻌㻹㼍㼓㼍㼦㼕㼚㼑㻌㻔㻞㻜㻝㻟㻕㻌 㻙㻭㼗㼕㼗㼛㻌㻹㼍㼟㼍㼗㼕㻘㻌㻴㼕㼞㼛㼥㼡㼗㼕㻌㻹㼛㼞㼕㻌 䇾㻲㼑㼞㼙㼕㼛㼚㻙㻵㼚㼐㼡㼏㼑㼐㻌㻰㼑㼏㼛㼔㼑㼞㼑㼚㼏㼑㻌㼛㼒㻌㻮㼛㼟㼛㼚㼟㻌㼕㼚㻌㻻㼜㼠㼕㼏㼍㼘㻌㻸㼍㼠㼠㼕㼏㼑㼟䇿㻌 9 添付資料 4 㼠㼛㻌㼎㼑㻌㼜㼡㼎㼘㼕㼟㼔㼑㼐㻌㼕㼚㻌㻶㼛㼡㼞㼚㼍㼘㻌㼛㼒㻌㼜㼔㼥㼟㼕㼏㼟㻦㻌㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㻿㼑㼞㼕㼑㼟㻌㻞㻜㻝㻟㻚㻌 㻙㻌 㻴㻚㻌 㻹㼍㼟㼡㼐㼍㻘㻌 㼀㻚㻌 㻻㼗㼡㼎㼛㻘㻌 㼍㼚㼐㻌 㻴㻚㻌 㻷㼍㼣㼍㼙㼡㼞㼍㻘㻌 䇾㻲㼕㼚㼕㼠㼑㻙㼀㼑㼙㼜㼑㼞㼍㼠㼡㼞㼑㻌 㼀㼞㼍㼚㼟㼕㼠㼕㼛㼚㻌 㼛㼒㻌 㼠㼔㼑㻌 㻭㼚㼠㼕㼒㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㼕㼏㻌 㻴㼑㼕㼟㼑㼚㼎㼑㼞㼓㻌㻹㼛㼐㼑㼘㻌㼛㼚㻌㼍㻌㻰㼕㼟㼠㼛㼞㼠㼑㼐㻌㼗㼍㼓㼛㼙㼑㻌㻸㼍㼠㼠㼕㼏㼑䇿㻌㻼㼔㼥㼟㼕㼏㼍㼘㻌㻾㼑㼢㼕㼑㼣㻌㻸㼑㼠㼠㼑㼞㼟㻌㻝㻜㻥㻘㻌㻜㻡㻣㻞㻜㻝㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻙㻌㻶㼍㼙㼑㼟㻌㻿㻚㻹㻚㻌㻭㼚㼐㼑㼞㼟㼛㼚㻘㻌㻹㼍㼔㼛㻌㻺㼍㼗㼍㼠㼍㻘㻌㻾㼥㼛㻌㻵㼓㼍㼞㼍㼟㼔㼕㻘㻌㻷㼍㼠㼟㼡㼗㼕㻌㻲㼡㼖㼕㼟㼍㼣㼍㻘㻌㻹㼍㼗㼛㼠㼛㻌㼅㼍㼙㼍㼟㼔㼕㼠㼍㻘㻌䇾㼀㼔㼑㻌㼟㼑㼏㼛㼚㼐㻙㼛㼞㼐㼑㼞㻌 㼞㼑㼐㼡㼏㼑㼐㻌 㼐㼑㼚㼟㼕㼠㼥㻌 㼙㼍㼠㼞㼕㼤㻌 㼙㼑㼠㼔㼛㼐㻌 㼍㼚㼐㻌 㼠㼔㼑㻌 㼠㼣㼛㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㻴㼡㼎㼎㼍㼞㼐㻌 㼙㼛㼐㼑㼘䇿㻘㻌 㻯㼛㼙㼜㼡㼠㼍㼠㼕㼛㼚㼍㼘㻌 㼍㼚㼐㻌 㼀㼔㼑㼛㼞㼑㼠㼕㼏㼍㼘㻌 㻯㼔㼑㼙㼕㼟㼠㼞㼥㻘㻌㻝㻜㻜㻟㻘㻌㻞㻞㻙㻞㻣㻘㻌㻔㻞㻜㻝㻟㻕㻌 㻙㻌㼀㼍㼗㼍㼔㼕㼞㼛㻌㻻㼔㼓㼛㼑㻘㻌㼀㼍㼗㼍㼒㼡㼙㼕㻌㻿㼡㼦㼡㼗㼕㻘㻌㼍㼚㼐㻌㻺㼍㼛㼗㼕㻌㻷㼍㼣㼍㼟㼔㼕㼙㼍㻌 䇾㻮㼕㼙㼛㼐㼍㼘㻌㻹㼛㼙㼑㼚㼠㼡㼙㻌㻰㼕㼟㼠㼞㼕㼎㼡㼠㼕㼛㼚㻌㼛㼒㻌㼠㼔㼑㻌㻴㼕㼓㼔㻙㻰㼑㼚㼟㼕㼠㼥㻌㻿㼡㼜㼑㼞㼟㼛㼘㼕㼐㻌㻿㼠㼍㼠㼑䇿㻌 㻌 㻝㻣㻝㻘㻌㻟㻜㻥㻌㻔㻞㻜㻝㻟㻕㻌㼇㻽㻲㻿㻞㻜㻝㻞㻌㼜㼞㼛㼏㼑㼑㼐㼕㼚㼓㼟㼉㻌 㻶㼛㼡㼞㼚㼍㼘㻌㼛㼒㻌㻸㼛㼣㻌㼀㼑㼙㼜㼑㼞㼍㼠㼡㼞㼑㻌㻼㼔㼥㼟㼕㼏㼟㻌㻝 㻙㼀㼍㼗㼍㼔㼕㼞㼛㻌㻻㼔㼓㼛㼑㻘㻌㼀㼍㼗㼍㼒㼡㼙㼕㻌㻿㼡㼦㼡㼗㼕㻘㻌㼍㼚㼐㻌㻺㼍㼛㼗㼕㻌㻷㼍㼣㼍㼟㼔㼕㼙㼍㻌 䇾㻰㼛㼡㼎㼘㼑㻌㼜㼑㼍㼗㼟㻌㼕㼚㻌㼠㼔㼑㻌㼙㼛㼙㼑㼚㼠㼡㼙㻌㼐㼕㼟㼠㼞㼕㼎㼡㼠㼕㼛㼚㻌㼛㼒㻌㼏㼛㼘㼐㻌㼜㼛㼘㼍㼞㻌㼙㼛㼘㼑㼏㼡㼘㼑㼟㻌㼕㼚㻌㼠㼔㼑㻌㼟㼡㼜㼑㼞㼟㼛㼘㼕㼐㻌㼟㼠㼍㼠㼑䇿㻌 㻶㻚㻌㻼㼔㼥㼟㻚㻦㻌㻯㼛㼚㼒㻚㻌㻿㼑㼞㻚㻌㻠 㻠㻜㻜㻘㻌㻜㻝㻞㻜㻡㻤㻌㻔㻞㻜㻝㻞㻕㻌 㻌 㼇㻸㼀㻞㻢㻌㼜㼞㼛㼏㼑㼑㼐㼕㼚㼓㼟㼉㻌 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 㻙⸨ᇽ┾ࠕ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࡼࡿ᪂ࡋ࠸㔞Ꮚ┦࣭㔞Ꮚ⮫⏺⌧㇟ࡢ᥈ồࠖィ⟬ᕤᏛ ㄶゼ⚽㯢⸨ᇽ┾ࠕヲ⣽ࡘࡾ࠶࠸ࢆ‶ࡓࡉ࡞࠸࣐ࣝࢥࣇ㐃㙐ࣔࣥࢸ࢝ࣝࣟἲࡑࡢ୍⯡ࠖ ி㒔Ꮫᩘ⌮ゎᯒ◊✲ᡤㅮ✲㘓ᥖ㍕ணᐃ 㻙Ώ㎶ᐂᚿ䚸㻎▷㊥㞳ྂศᏊືຊᏛἲ䛾㉸୪ิィ⟬䛻ྥ䛡䛶㻎㻌 ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁◊✲ㄅ䛂䜰䞁䝃䞁䝤䝹䛃㻘㼂㼛㼘㻚㻌㻝㻠㻘㻌㻺㼛㻚㻌㻟㻘㻌㻔㏻ᕳ 㻡㻥 ྕ㻕㻘㻌㻝㻞㻞㻙㻙㻝㻞㻡㻌㻔㻞㻜㻝㻞㻕㻌 㻌 㻌 㼇ᏛⓎ⾲㼉㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 㻙⸨ᇽ┾㻘㻌 䛂㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛᪂䛧䛔㔞Ꮚ┦䞉㔞Ꮚ⮫⏺⌧㇟䛾᥈ồ䛃㻘㻌 ி䝁䞁䝢䝳䞊䝍䞉䝅䞁䝫䝆䜴䝮 㻞㻜㻝㻞 䛚䜘䜃➨ 㻞 ᅇᡓ␎䝥䝻䜾䝷䝮 㻡 ศ㔝ྜྠ 㼃㻿㻘㻌㻞㻜㻝㻞 ᖺ 㻢 ᭶㻘㻌 ⚄ᡞ㻌 㻙⸨ᇽ┾㻘㻌 䛂≀ᛶ≀⌮䛻䛚䛡䜛䝰䞁䝔䜹䝹䝻ἲ䛸䛭䛾つᶍ䛃㻘㻌 㻼㻯 䜽䝷䝇䝍䝽䞊䜽䝅䝵䝑䝥㻌 㼕㼚㻌 ᯽㻘㻌 㻞㻜㻝㻞 ᖺ 㻣 ᭶㻘㻌 ᯽㻌 㻙⸨ᇽ┾㻘㻌 䛂つᶍ୪ิ㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ 㻭㻸㻼㻿㻛㼘㼛㼛㼜㼑㼞 䛸㔞Ꮚ☢ᛶయ䜈䛾ᛂ⏝䛃㻘㻌 䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍䝽 䞊䜽䝅䝵䝑䝥 㻞㻜㻝㻟㻘㻌㻞㻜㻝㻟 ᖺ 㻝 ᭶㻘㻌 ศᏊ◊㻌 㻙⸨ᇽ┾㻘㻌 䛂ḟୡ௦䛾ィ⟬≀㉁⛉Ꮫ䛻ྥ䛡䛶䛃㻘㻌 ᪥ᮏᏛ➨ 㻥㻟 Ꮨᖺ㻘㻌㻞㻜㻝㻟 ᖺ 㻟 ᭶㻘㻌 ❧㤋㻌 㻙ཎ⏣⮬㻘㻌 䛂ከయၥ㢟䛻䛚䛡䜛䝔䞁䝋䝹䝛䝑䝖䝽䞊䜽ἲ䛃㻘㻌 ி㒔Ꮫᩘ⌮ゎᯒ◊✲ᡤ㻌 ◊✲㞟䛂ḟୡ௦ィ⟬ ⛉Ꮫ䛾ᇶ┙ᢏ⾡䛸䛭䛾ᒎ㛤䛃㻘㻌 䠎䠌䠍䠎ᖺ䠍䠌᭶䠎䠐᪥㻘㻌 ி㒔㻚㻌 㻙Ώ㎶ᐂᚿ䚸䛂▷㊥㞳ྂศᏊືຊᏛィ⟬䛾㧗㏿䛸つᶍ୪ิ䛃㻌 ➨䠒ᅇศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䝇䜽䞊䝹㻘㻞㻜㻝㻞 ᖺ㻌 㻝㻞 ᭶㻌 㻝㻟 ᪥㻘㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻙㻌 㻺㼍㼛㼗㼕㻌 㻷㼍㼣㼍㼟㼔㼕㼙㼍㻘㻌 㻿㼡㼜㼑㼞㼒㼘㼡㼕㼐㼕㼠㼥㻌 㼍㼚㼐㻌 㻿㼡㼜㼑㼞㼟㼛㼘㼕㼐㼕㼠㼥㻌 㼛㼒㻌 㻸㼍㼠㼠㼕㼏㼑㻌 㻹㼛㼐㼑㼘㼟㻘㻌 㻯㻽㻰㻯㻝㻞㻘㻌 㻻㼏㼠㻚㻌 㻟㻜㻛㻞㻜㻝㻞㻘㻌 㻶㼡㼑㼘㼕㼏㼔㻘㻌 㻳㼑㼞㼙㼍㼚㼥㻌 㻙㻌㻺㼍㼛㼗㼕㻌㻷㼍㼣㼍㼟㼔㼕㼙㼍㻘㻌㻿㼡㼜㼑㼞㼒㼘㼡㼕㼐㼕㼠㼥㻌㼍㼚㼐㻌㻿㼡㼜㼑㼞㼟㼛㼘㼕㼐㼕㼠㼥㻌㼛㼒㻌㻸㼍㼠㼠㼕㼏㼑㻌㻹㼛㼐㼑㼘㼟㻘㻌㻿㼡㼜㼑㼞㼟㼛㼘㼕㼐㼕㼠㼥㻌㼕㼚㻌㻺㼍㼠㼡㼞㼑㻘㻌㻶㼡㼚㻚㻌㻝㻝㻛㻞㻜㻝㻞㻘㻌 㻾㻵㻷㻱㻺㻘㻌㼃㼍㼗㼛㻘㻌㻶㼍㼜㼍㼚㻌 㻙㻌 㻺㼍㼛㼗㼕㻌 㻷㼍㼣㼍㼟㼔㼕㼙㼍㻘㻌 㻽㼡㼍㼚㼠㼡㼙㻌 㻹㼛㼚㼠㼑㻌 㻯㼍㼞㼘㼛㻌 㼟㼠㼡㼐㼥㻌 㼛㼒㻌 㻿㼁㻔㻺㻕㻌 㻶㻙㻽㻌 㼙㼛㼐㼑㼘㼟㻘㻌 㻵㼙㼜㼡㼞㼕㼠㼕㼑㼟㻌 㼍㼚㼐㻌 㼀㼑㼤㼠㼡㼞㼑㼟㻌 㼕㼚㻌 㼁㼚㼏㼛㼚㼢㼑㼚㼠㼕㼛㼚㼍㼘㻌㻹㼍㼓㼚㼑㼠㼟㻘㻌㻭㼜㼞㻚㻌㻜㻞㻛㻞㻜㻝㻞㻘㻌㻹㻼㻵㻼㻷㻿㻘㻌㻰㼞㼑㼟㼐㼑㼚㻘㻌㻳㼑㼞㼙㼍㼚㼥㻌 10 添付資料 4 㻙㻌 㻿㼥㼚㼓㼑㻌 㼀㼛㼐㼛㻘㻌 䇾㼀㼔㼑㻌 㻭㻸㻼㻿㻌 㼜㼞㼛㼖㼑㼏㼠㻦㻌 㻻㼜㼑㼚㻌 㼟㼛㼡㼞㼏㼑㻌 㼟㼛㼒㼠㼣㼍㼞㼑㻌 㼒㼛㼞㻌 㼟㼠㼞㼛㼚㼓㼘㼥㻌 㼏㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌 㼟㼥㼟㼠㼑㼙㼟䇿㻘 㻯㻯㻼㻞㻜㻝㻞㻦㻌 㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻯㼛㼙㼜㼡㼠㼍㼠㼕㼛㼚㼍㼘㻌㻼㼔㼥㼟㼕㼏㼟㻘㻌㻞㻜㻝㻞㻌㻻㼏㼠㻚㻘㻷㼛㼎㼑㻌 㻙㻿㼥㼚㼓㼑㻌㼀㼛㼐㼛㻘㻌䇾㻽㼡㼍㼚㼠㼡㼙㻌㻹㼛㼚㼠㼑㻌㻯㼍㼞㼘㼛㻌㼘㼑㼢㼑㼘㻌㼟㼜㼑㼏㼠㼞㼛㼟㼏㼛㼜㼥䇿㻘㻌㻯㻽㻰㻯㻓㻝㻞㻌㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㼃㼛㼞㼗㼟㼔㼛㼜㻌㼛㼚㻌㻯㼛㼛㼜㼑㼞㼍㼠㼕㼢㼑㻌 㻽㼡㼍㼚㼠㼡㼙㻌㻰㼥㼚㼍㼙㼕㼏㼟㻌㼍㼚㼐㻌㻵㼠㼟㻌㻯㼛㼚㼠㼞㼛㼘㻘㻌㻞㻜㻝㻞㻌㻻㼏㼠㻚㻘㻌㻶㼡㼘㼕㼏㼔㻌 㻙㻿㼥㼚㼓㼑㻌㼀㼛㼐㼛㻘㻌䇾㻺㼑㼤㼠㻙㼓㼑㼚㼑㼞㼍㼠㼕㼛㼚㻌㼝㼡㼍㼚㼠㼡㼙㻌㻹㼛㼚㼠㼑㻌㻯㼍㼞㼘㼛㻌㼟㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌㼛㼒㻌㼟㼠㼞㼛㼚㼓㼘㼥㻌㼏㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌㼙㼍㼠㼑㼞㼕㼍㼘㼟㻌㼛㼚㻌㼜㼑㼠㼍㻙㼟㼏㼍㼘㼑㻌 㼟㼡㼜㼑㼞㼏㼛㼙㼜㼡㼠㼑㼞䇿㻘㻌㻵㻱㻱㻱㻌㻯㻼㻹㼀㻌㻿㼥㼙㼜㼛㼟㼕㼡㼙㻌㻶㼍㼜㼍㼚㻌㻞㻜㻝㻞㻘㻌㻞㻜㻝㻞㻌㻺㼛㼢㻚㻘㻌㻷㼥㼛㼠㼛㻌 㻙㻌 㼀㼍㼗㼍㼒㼡㼙㼕㻌 㻿㼡㼦㼡㼗㼕㻘㻌 㻱㼐㼓㼑㻌 㼟㼠㼍㼠㼑㼟㻌 㼕㼚㻌 㼠㼣㼛㻌 㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㼟㼜㼕㼚㻌 㼍㼚㼐㻌 㼎㼛㼟㼛㼚㼕㼏㻌 㼟㼥㼟㼠㼑㼙㼟㻘 㻯㼡㼞㼞㼑㼚㼠㻌 㼀㼛㼜㼕㼏㼟㻌 㼕㼚㻌 㼀㼔㼑㼛㼞㼥㻌 㼛㼒㻌 㻯㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌㻹㼍㼠㼑㼞㼕㼍㼘㼟㻘㻌㼃㼍㼗㼛㻘㻌㻞㻜㻝㻞㻌㻿㼑㼜㻚㻌㻝㻞㻌 㻙㻌 㻷㼑㼚㼖㼕㻌 㻴㼍㼞㼍㼐㼍㻘㻌 㻎㻺㼡㼙㼑㼞㼕㼏㼍㼘㻌 㼟㼠㼡㼐㼥㻌 㼛㼒㻌 㼝㼡㼍㼚㼠㼡㼙㻌 㼒㼞㼡㼟㼠㼞㼍㼠㼑㼐㻌 㼙㼍㼓㼚㼑㼠㼟㻌 㼡㼟㼕㼚㼓㻌 㼑㼚㼠㼍㼚㼓㼘㼑㼙㼑㼚㼠㻌 㼞㼑㼚㼛㼞㼙㼍㼘㼕㼦㼍㼠㼕㼛㼚㻎㻘㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌 㼃㼛㼞㼗㼟㼔㼛㼜㻌 㼛㼚㻌 㻯㼛㼛㼜㼑㼞㼍㼠㼕㼢㼑㻌 㻽㼡㼍㼚㼠㼡㼙㻌 㻰㼥㼚㼍㼙㼕㼏㼟㻌 㼍㼚㼐㻌 㻵㼠㼟㻌 㻯㼛㼚㼠㼞㼛㼘㻌 㻔㻯㻽㻰㻯㻓㻝㻞㻕㻘㻌 㻟㻜㻌 㻻㼏㼠㼛㼎㼑㼞㻌 㻞㻜㻝㻞㻘㻌 㻶㾇㼘㼕㼏㼔㻌㻿㼡㼜㼑㼞㼏㼛㼙㼜㼡㼠㼕㼚㼓㻌㻯㼑㼚㼠㼞㼑㻌㻔㻶㻿㻯㻕㻘㻌㻳㼑㼞㼙㼍㼚㼥㻚㻌 㻙㻌 㼀㻚㻌 㻻㼗㼡㼎㼛㻘㻌 䇾㻻㼞㼐㼑㼞㼕㼚㼓㻌 㼍㼚㼐㻌 㻰㼥㼚㼍㼙㼕㼏㼟㻌 㼛㼒㻌 㼀㼛㼜㼛㼘㼛㼓㼕㼏㼍㼘㻌 㻱㼤㼏㼕㼠㼍㼠㼕㼛㼚㼟㻌 㼕㼚㻌 㻲㼞㼡㼟㼠㼞㼍㼠㼑㼐㻌 㻹㼍㼓㼚㼑㼠㼟䇿㻘㻌 㻞㻢㼠㼔㻌 㻭㼚㼚㼡㼍㼘㻌 㻯㻿㻼㻌 㼃㼛㼞㼗㼟㼔㼛㼜㻌䇾㻾㼑㼏㼑㼚㼠㻌㻰㼑㼢㼑㼘㼛㼜㼙㼑㼚㼠㼟㻌㼕㼚㻌㻯㼛㼙㼜㼡㼠㼑㼞㻌㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌㻿㼠㼡㼐㼕㼑㼟㻌㼕㼚㻌㻯㼛㼚㼐㼑㼚㼟㼑㼐㻌㻹㼍㼠㼠㼑㼞㻌㻼㼔㼥㼟㼕㼏㼟䇿㻘㻌㻹㼍㼞㼏㼔㻌㻞㻜㻝㻟㻘㻌 㼁㼚㼕㼢㼑㼞㼟㼕㼠㼥㻌㼛㼒㻌㻳㼑㼛㼞㼓㼕㼍㻘㻌㼁㻿㻭㻌 㻌 㻙㻌㼀㼍㼗㼍㼔㼕㼞㼛㻌㻻㼔㼓㼛㼑䚸䇾㻿㼡㼜㼑㼞㼟㼛㼘㼕㼐㻌㼍㼚㼐㻌㼝㼡㼍㼚㼠㼡㼙㻌㼜㼔㼍㼟㼑㻌㼠㼞㼍㼚㼟㼕㼠㼕㼛㼚㼟㻌㼕㼚㻌㼏㼛㼘㼐㻌㼘㼍㼠㼠㼕㼏㼑㻌㼎㼛㼟㼛㼚㼟䇿䚸㻌㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㼃㼛㼞㼗㼟㼔㼛㼜㻌㼛㼚㻌㻾㼑㼏㼑㼚㼠㻌㻰㼑㼢㼑㼘㼛㼜㼙㼑㼚㼠㼟㻌㼛㼒㻌㻿㼠㼡㼐㼕㼑㼟㻌㼛㼚㻌㻼㼔㼍㼟㼑㻌㼀㼞㼍㼚㼟㼕㼠㼕㼛㼚㼟㻌㻞㻜㻝㻞㻘㻌㻶㼡㼚㻚㻌㻞㻜㻝㻞㻘㻌㼀㼛㼗㼥㼛㻌 㻙㼀㼍㼗㼍㼔㼕㼞㼛㻌㻻㼔㼓㼛㼑䚸䇾㻯㼛㼙㼙㼑㼚㼟㼡㼞㼍㼠㼑㻌㼟㼡㼜㼑㼞㼟㼛㼘㼕㼐㻌㼛㼒㻌㼘㼍㼠㼠㼕㼏㼑㻌㼎㼛㼟㼛㼚㼟䇿䚸㻌 㻳㻯㻻㻱㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㻿㼥㼙㼜㼛㼟㼕㼡㼙㻌㼛㼚㻌㻼㼔㼥㼟㼕㼏㼍㼘㻌 㻿㼏㼕㼑㼚㼏㼑㼟㻌㻲㼞㼛㼚㼠㼕㼑㼞㻘㻌㻰㼑㼏㻚㻌㻞㻜㻝㻞㻘㻌㼀㼛㼗㼥㼛㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻙㕥ᮌ㻌 㝯ྐ䚸䠎ḟඖᙉ☢ᛶ㔞Ꮚ䝇䝢䞁⣔䛾➃≧ែ䠈㻼㼔㼥㼟㼕㼏㼟㻌 㼛㼒㻌 㻽㼡㼍㼚㼠㼡㼙㻌 㻿㼜㼕㼚㻌 㻿㼥㼟㼠㼑㼙㼟䠈ி㒔ᕷ䠈㻞㻜㻝㻞 ᖺ 㻝㻝 ᭶ 㻝㻟 ᪥㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻙㻌㻷㼑㼚㼖㼕㻌㻴㼍㼞㼍㼐㼍㻘㻌㻎㻺㼡㼙㼑㼞㼕㼏㼍㼘㻌 㼟㼠㼡㼐㼥㻌 㼛㼒㻌 㼕㼚㼏㼛㼙㼙㼑㼚㼟㼡㼞㼍㼎㼕㼘㼕㼠㼥㻌 㼛㼒㻌 㼠㼔㼑㻌 㼟㼜㼕㼞㼍㼘㻌 㼟㼠㼍㼠㼑㻌㼛㼚㻌 㼟㼜㼕㼚㻙㻝㻛㻞㻌 㼟㼜㼍㼠㼕㼍㼘㼘㼥㻌 㼍㼚㼕㼟㼛㼠㼞㼛㼜㼕㼏㻌 㼠㼞㼕㼍㼚㼓㼡㼘㼍㼞㻌 㼍㼚㼠㼕㼒㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㼟㻌 㼡㼟㼕㼚㼓㻌 㼑㼚㼠㼍㼚㼓㼘㼑㼙㼑㼚㼠㻌 㼞㼑㼚㼛㼞㼙㼍㼘㼕㼦㼍㼠㼕㼛㼚㻎㻘㻌 㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌 㼛㼚㻌 㻯㼛㼙㼜㼡㼠㼍㼠㼕㼛㼚㼍㼘㻌 㻼㼔㼥㼟㼕㼏㼟㻌 㻔㻯㻯㻼㻞㻜㻝㻞㻕㻌㼒㼛㼞㻌㻼㼔㼥㼟㼕㼏㼟㻘㻌㻯㼔㼑㼙㼕㼟㼠㼞㼥㻘㻌㻮㼕㼛㼘㼛㼓㼥㻘㻌㻱㼚㼓㼕㼚㼑㼑㼞㼕㼚㼓㻌㼍㼚㼐㻌㼞㼑㼘㼍㼠㼑㼐㻌㼍㼏㼍㼐㼑㼙㼕㼏㻌㼒㼕㼑㼘㼐㼟㻌㼍㼚㼐㻌㼕㼚㼐㼡㼟㼠㼞㼕㼍㼘㻌㼍㼜㼜㼘㼕㼏㼍㼠㼕㼛㼚㼟㻘㻌 㻝㻡㻌㻻㼏㼠㼛㼎㼑㼞㻌㻞㻜㻝㻞㻘㻌㻷㼛㼎㼑㻘㻌㻶㼍㼜㼍㼚㻚㻌 㻌 䞉ཱྀ㢌Ⓨ⾲㻔ᅜෆ㆟䛷ᰝㄞ䛾䛺䛔䜒䛾㻕㻌 㻙Ώ㎶ᐂᚿ䚸㕥ᮌᑗ䚸ఀ⸨ఙὈ䚸䛂䝨䝍䝇䜿䞊䝹䝁䞁䝢䝳䞊䝍䛻䛚䛡䜛ศᏊືຊᏛἲ䛾ྍ⬟ᛶ䛃䚸㻌 ᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ㻘㻞㻜㻝㻟 ᖺ㻌 㻟 ᭶㻌 㻞㻥 ᪥㻘㻌 ᗈᓥᏛ㻌 ᮾᗈᓥ䜻䝱䞁䝟䝇㻌 㻙㻴㻚㻌㼃㼍㼠㼍㼚㼍㼎㼑㻘㻌㻹㻚㻌㻿㼡㼦㼡㼗㼕㻘㻌㼍㼚㼐㻌㻺㻚㻌㻵㼠㼛䚸䇾㻴㼡㼓㼑㻙㻿㼏㼍㼘㼑㻌㻹㼛㼘㼑㼏㼡㼘㼍㼞㻌㻰㼥㼚㼍㼙㼕㼏㼟㻌㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌㼛㼒㻌㻯㼍㼢㼕㼠㼍㼠㼕㼛㼚㻌㻼㼞㼛㼏㼑㼟㼟䇿㻌 㼀㼔㼑㻌㻟㼞㼐㻌㼃㼛㼞㼗㼟㼔㼛㼜㻌㼛㼚㻌㻯㼛㼙㼜㼡㼠㼍㼠㼕㼛㼚㼍㼘㻌㼍㼚㼐㻌㻿㼠㼍㼠㼕㼟㼠㼕㼏㼍㼘㻌㻼㼔㼥㼟㼕㼏㼟㻌㻔㻯㻿㻼㻟㻕㻘㻞㻜㻝㻞 ᖺ㻌 㻝㻜 ᭶㻌 㻞㻜 ᪥㻘㻌㻷㼥㼛㼠㼛㻌㻾㼑㼟㼑㼍㼞㼏㼔㻌㻼㼍㼞㼗㻘㻌 㻷㼥㼛㼠㼛㻘㻌㻶㼍㼜㼍㼚㻌 㻙Ώ㎶ᐂᚿ䚸䛂㉸୪ิィ⟬ᶵ䛻䛚䛡䜛ศᏊືຊᏛ䝅䝭䝳䝺䞊䝅䝵䞁䛾⌧≧䛸ᒎᮃ䛃䚸㻌 㻹㻰㻯㻸 䝉䝭䝘䞊㻘㻞㻜㻝㻞 ᖺ㻌 㻣 ᭶㻌 㻝㻥 ᪥㻘㻌 ᮾிᏛ≀ᛶ◊✲ᡤ㻌 㻙Ώ㎶ᐂᚿ䚸䛂㉸୪ิィ⟬ᶵ䛻䛚䛡䜛ศᏊືຊᏛ䝅䝭䝳䝺䞊䝅䝵䞁䛾⌧≧䛸ᒎᮃ䛃䚸㻌 ⤫ィຊᏛ䝉䝭䝘䞊㻘㻞㻜㻝㻞 ᖺ㻌 㻣 ᭶㻌 㻟 ᪥㻘㻌 ᮾிᏛᮏ㒓䜻䝱䞁䝟䝇⌮ 㻝 ྕ㤋㻌 㻙ṇᮌᬗᏊ䚸ᕝᓥ┤㍤䚸⸨ᇽ┾䚸ཎ⏣⮬䚸㕥ᮌ㝯ྐ䚸䛂䝽䞊䝮䜰䝹䝂䝸䝈䝮䛾୪ิ䛃䚸᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ䚸㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻥 ᪥䚸ᗈᓥᏛ㻌 㻙༑ᔒு䚸ᆏୗ㐩ဢ䚸⸨ᇽ┾䚸㻭㻸㻼㻿㻛㼐㼕㼍㼓㼛㼚㼍㼘㼕㼦㼍㼠㼕㼛㼚 䛾 㻻㼜㼑㼚㻹㻼㻛㻹㻼㻵 ୪ิ䚸᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ 11 添付資料 4 䚸㻞㻜㻝㻟 ᖺ 㻟 ᭶䚸ᗈᓥᏛ㻌 㻙㻭㼗㼕㼗㼛㻌㻹㼍㼟㼍㼗㼕㻘㻌㻴㼕㼞㼛㼥㼡㼗㼕㻌㻹㼛㼞㼕䈈䇾㻸㼛㼏㼍㼘㼕㼦㼍㼠㼕㼛㼚㻌㼛㼒㻌㻮㼛㼟㼑㻙㻲㼑㼞㼙㼕㻌㻹㼕㼤㼠㼡㼞㼑㼟㻌㼕㼚㻌㻻㼚㼑㻙㻰㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㻵㼚㼏㼛㼙㼙㼑㼚㼟㼡㼞㼍㼠㼑㻌 㻸㼍㼠㼠㼕㼏㼑㼟䇿䚸㻞㻟㼞㼐㻌㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻭㼠㼛㼙㼕㼏㻌㻼㼔㼥㼟㼕㼏㼟㻌 䚸㻞㻜㻝㻞 ᖺ 㻣 ᭶䚸㻼㼍㼞㼕㼟㻘㻌㻲㼞㼍㼚㼏㼑㻌 㻙㻭㼗㼕㼗㼛㻌㻹㼍㼟㼍㼗㼕㻘㻌㻴㼕㼞㼛㼥㼡㼗㼕㻌㻹㼛㼞㼕䈈䇾㻽㼡㼍㼚㼠㼡㼙㻌㻹㼛㼚㼠㼑㻙㻯㼍㼞㼘㼛㻌㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌㼛㼚㻌㻮㼛㼟㼑㻙㻲㼑㼞㼙㼕㻌㻹㼕㼤㼠㼡㼞㼑㼟㻌㼕㼚㻌 㻻㼚㼑㻙㻰㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌㻵㼚㼏㼛㼙㼙㼑㼚㼟㼡㼞㼍㼠㼑㻌㻻㼜㼠㼕㼏㼍㼘㻌 㻸㼍㼠㼠㼕㼏㼑㼟䇿䚸㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻯㼛㼙㼜㼡㼠㼍㼠㼕㼛㼚㼍㼘㻌㻼㼔㼥㼟㼕㼏㼟㻌㻞㻜㻝㻞䚸㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶䚸䝙䝏䜲Ꮫ㤋䚸⚄ᡞ㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻙㻌 㻿㻚㻌 㼀㼛㼐㼛㻘㻌 䇾㻸㼛㼛㼜㻌 㻭㼘㼓㼛㼞㼕㼠㼔㼙䇿㻘㻌 㼕㼚㻌 䇾㻿㼠㼞㼛㼚㼓㼘㼥㻌 㻯㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌 㻿㼥㼟㼠㼑㼙㼟㻦㻌 㻺㼡㼙㼑㼞㼕㼏㼍㼘㻌 㻹㼑㼠㼔㼛㼐㼟䇿㻌 㻔㻿㼜㼞㼕㼚㼓㼑㼞㻌 㻿㼑㼞㼕㼑㼟㻌 㼕㼚㻌 㻿㼛㼘㼕㼐㻙㻿㼠㼍㼠㼑㻌㻿㼏㼕㼑㼚㼏㼑㼟㻕㻌 㻘㻌㻱㼐㻚㻌㻭㻚㻌㻭㼢㼑㼘㼘㼍㻌㼍㼚㼐㻌㻲㻚㻌㻹㼍㼚㼏㼕㼚㼕㻌㻔㻿㼜㼞㼕㼚㼓㼑㼞㻘㻌㻮㼑㼞㼘㼕㼚㻘㻌㻞㻜㻝㻟㻕㻚㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 12 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨୍㒊㻌 ㄢ㢟ྡ䠖㻌 㟁Ꮚ≧ែ䞉ືຊᏛ䞉⇕ᦂ䜙䛞䛾⼥䛸ศᏊ⌮ㄽ䛾᪂ᒎ㛤㻌 㡯┠ྡ䠖㻌 ㉸㧗⢭ᗘ㟁Ꮚ≧ែィ⟬䛻䜘䜛ศᏊ䛾ᚤ⣽㔞Ꮚᵓ㐀ண 㻌 㡯┠௦⾲⪅䠖㻌 ኳ⬟⢭୍㑻㻌 ᡤᒓ䠖㻌 ⚄ᡞᏛ㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 1. Y. Kitagawa, Y. Akinaga, Y. Kawashima, J. Jung, and S. Ten-no, “A QM/MM-MD study on protein electronic properties: Circular dichroism spectra of oxytocin and insulin” Chem. Phys., (Recent Advances in Electron Correlation Methods and Applications in honor of Debashis Mukherjee) 401 95-102 (2012). 2. N. Minakuchi, K. Hoe, D. Yamaki, S. Ten-no, K. Nakashima, M. Goto, M. Mizuhata, and T. Maruyama, “Versatile supramolecular gelators that can harden water, organic solvents and ionic liquids” Langmure, 28 9259-9266 (2012). 3. S. Ten-no and D. Yamaki, “Explicitly correlated four-component relativistic second order Møller-Plesset perturbation theory” J. Chem. Phys. (communications), 137 131101 (2012) (4 pages). 4. S. Ueno, Y. Tanimura, and S. Ten-no, “Molecular dynamics simulation for infrared spectroscopy with intra-molecular forces from electronic properties of on-the-fly quantum chemical calculations” Intern. J. Quantum Chem., 113 330-335 (2012). 5. J. Jung, S. Re, Y. Sugita, and S. Ten-no, “Improved constrained optimization for reaction-path determination in the generalized hybrid orbital quantum mechanical /molecular mechanical calculations” J. Chem. Phys., 138 044106 (2013) (10 pages). 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 ヱᙜ㡯↓䛧㻌 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 ヱᙜ㡯↓䛧㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 1. S. Ten -no, “Exp lic itly correla ted perturbation theo ry using cusp cond ition s”, Mo lecu la r elec tron ic struc ture a t Tro y, Sep te mber 9 - 13 (2012) Canakka le, Turk e y 2. S. Ten -no, “The ra tio nal gen era tor in exp lic itly corre lated e lec tron ic struc ture th eory” , Theory and Applica tion s in Co mpu tationa l Che mistry (TACC) 2012, S epte mber 2 - 7 (2012) P avia, Ita ly 13 添付資料 4 3. S. Ten -no, “Rec ent ad van ces in e xplic itly c orrela ted electron ic struc ture the ory u sing cusp cond ition s”, the 2 012 In tern ationa l Cong ress of Quan tu m Che mistry, June 25 - 3 0 (2012) Boulde r, Colo ra do, USA 4. S. Ten -no, “ F1 2 theory in c onjun ction with rela tivity and determina nta l -ba sed QMC method ”, a sa tellite wo rkshop of the 20 12 ICQ C "Low -sc aling a nd Unconventiona l Electron ic Struc ture Te chnique s" (LUEST), Ju ne 18 -22 (2012 ) Te lluride, Colo rado, USA 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 ヱᙜ㡯↓䛧㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 ヱᙜ㡯↓䛧㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 ヱᙜ㡯↓䛧㻌 㻌 䠷ⴭస≀䠹㻌 ᒾἼㅮᗙ ィ⟬⛉Ꮫ㸱 ィ⟬≀㉁ 㸦➨㸱❶ᢸᙜ㸧 ࠕศᏊࢹࢨࣥ㔞ᏊᏛࠖ 㸦ᒾἼ᭩ᗑࠊ2012 ᖺ 7 ᭶㸧 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 ᅜ㝿㔞ᏊศᏊ⛉Ꮫ䜰䜹䝕䝭䞊ဨ㻌 䠄ᖹᡂ 㻞㻠 ᖺ 㻢 ᭶䠅㻌 㻌 14 添付資料 4 HPCI ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 CMSI ◊✲ㄢ㢟 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲ 㒊ྡ㸸 ➨୍㒊 ㄢ㢟ྡ㸸 㟁Ꮚ≧ែ䞉ືຊᏛ䞉⇕ᦂ䜙䛞䛾⼥䛸ศᏊ⌮ㄽ䛾᪂ᒎ㛤㻌 㡯┠ྡ㸸 ศᏊ䛻䛚䛡䜛㟁Ꮚ䛾ືⓗ㐣⛬䛸ከయ㔞ᏊືຊᏛ 㡯┠௦⾲⪅䠖㻌 㧗ሯ㻌 ኵ ᡤᒓ䠖㻌 ᮾிᏛᏛ㝔⥲ྜᩥ◊✲⛉ [ㄽᩥ] Takehiro Yonehara, Kota and Kazuo Takatsuka, Fundamental Approaches to Nonadiabaticity: Towards a Chemical Theory beyond the Born-Oppenheimer Paradigm. Chemical Reviews, 112, 499-542, 2012. Simona Scheit, Yasuki Arasaki, and Kazuo Takatsuka, Controlled Dynamics at an Avoided Crossing Interpreted in Terms of Dynamically Fluctuating Potential Energy Curves. J. Phys. Chem. A, 116, 2644–2653, 2012. Michihiro Okuyama and Kazuo Takatsuka, Dynamical electron mechanism of double proton transfer in formic acid dimer. BCSJ, 85, 217-227, 2012. P. M. Kraus, Y. Arasaki, J. B. Bertrand, S. Patchkovskii, P. B. Corkum, D. M. Villeneuve, K. Takatsuka and H. J. Woerner, Time-resolved high-harmonic spectroscopy of nonadiabatic dynamics in NO2. Phys. Rev. A, 85, 043409 (5 pages), 2012. Yasuki Arasaki, K. Wang, V. McKoy and K. Takatsuka, Nuclear and electron dynamics from femtoand subfemto-second time-resolved photoelectron angular distributions. J Phys. B: At. Mol. Opt. Phys. 45, 194006 (11 pages), 2012. Kengo Nagashima and Kazuo Takatsuka, Early-Stage Dynamics in Coupled Proton-Electron Transfer from the π-π* State of Phenol to Solvent Ammonia Clusters: A Nonadiabatic Electron Dynamics Study. J. Phys. Chem. A., 116(46), 11167-79, 2012. Takehiro Yonehara and Kazuo Takatsuka, Electron wavepacket dynamics in highly quasi-degenerate coupled electronic states: A theory for chemistry where the notion of adiabatic potential energy surface loses the sense. J. Chem. Phys. 137, 22A520 (13 pages), 2012. Naoyuki Niitsu, Miyu Kikuchi, Hayato Ikeda, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Koichiro Mitsuke, Mikito Toda, and Katsunori Nakai, Nanosecond simulations of the dynamics of C60 excited by intense near-infrared laser pulses: Impulsive Raman excitation, rearrangement, and fragmentation, The Journal of Chemical Physics 136, 164304 (12 pages), 2012. Manabu Kanno, Yukari Ono, Hirohiko Kono, and Yuichi Fujimura, Laser-Polarization Effects on 15 添付資料 4 Coherent Vibronic Excitation of Molecules with Quasi-Degenerate Electronic States, The Journal of Physical Chemistry A 116, 11260-11272, 2012. Kaoru Yamazaki, Naoyuki Niitsu, Kosuke Nakamura, Manabu Kanno, and Hirohiko Kono, Electronic Excited State Paths of Stone-Wales Rearrangement in Pyrene: Roles of Conical Intersections, The Journal of Physical Chemistry A 116, 11441-11450, 2012. Anant Babu Marahatta, Manabu Kanno, Kunihito Hoki, Wataru Setaka, Stephan Irle, and Hirohiko Kono, Theoretical Investigation of the Structures and Dynamics of Crystalline Molecular Gyroscopes, The Journal of Physical Chemistry C 116, 24845-24854, 2012. Tsuyoshi Kato, Takayuki Oyamada, Hirohiko Kono, and Shiro Koseki, Time-Dependent Multiconfiguration Theory and Its Application to Ultrafast Electronic Dynamics of Molecules in an Intense Laser Field, Progress of Theoretical Physics Supplement 196, 16-38, 2012. [⥲ㄝࠊゎㄝ] Manabu Kanno, Hirohiko Kono, Sheng H. Lin, and Yuichi Fujimura, Laser-Induced Electronic and Nuclear Coherent Motions in Chiral Aromatic Molecules, Progress in Theoretical Chemistry and Physics 26, Quantum Systems in Chemistry and Physics: Progress in Methods and Applications, 121-148, 2012. Naoyuki Niitsu, Miyu Kikuchi, Hayato Ikeda, Kaoru Yamazaki, Manabu Kanno, Hirohiko Kono, Koichiro Mitsuke, Mikito Toda, Katsunori Nakai, and Stephan Irle, Simulation of Nuclear Dynamics of C60: From Vibrational Excitation by Near-IR Femtosecond Laser Pulses to Subsequent Nanosecond Rearrangement and Fragmentation, Progress in Theoretical Chemistry and Physics 26, Quantum Systems in Chemistry and Physics: Progress in Methods and Applications, 149-177, 2012. Hirohiko Kono, Takayuki Oyamada, Tsuyoshi Kato, and Shiro Koseki, Natural Orbital Analysis of Ultrafast Multielectron Dynamics of Molecules, Multiphoton Processes and Attosecond Physics, Springer Proceedings in Physics Vol. 125, 289-297, 2012. Manabu Kanno, Hirohiko Kono, Hirobumi Mineo, Sheng H. Lin, and Yuichi Fujimura, Coherent ring currents in chiral aromatic molecules induced by linearly polarized UV laser pulses, Materials and Applications for Sensors and Transducers II, 381-384, 2013. Ἑ㔝⿱ᙪ, Ⳣ㔝 Ꮫ, Ꮫᛂཬࡰࡍ࣐ࢡࣟἼຠᯝࡢ⌮ㄽⓗ⪃ᐹ, ࣐ࢡࣟἼບ㉳࣭㧗 㠀ᖹ⾮ᛂ ሙࡢ⛉Ꮫ ―࣐ࢡࣟἼ࢚ࢿࣝࢠ࣮ࡢᇶ♏᪂ࡋ࠸ᛂ⏝―, ⮬↛⛉Ꮫ◊✲ᶵᵓ᰾⼥ྜ⛉Ꮫ◊✲ᡤ⦅, 75-79 (2012). Ἑ㔝⿱ᙪ, ᒣᓮ 㤾, ᪂ὠ┤ᖾ, Ⳣ㔝 Ꮫ, ࢼࣀ࣮࢝࣎ࣥࡢගㄏ㉳㌿⛣࣭ゎ㞳ᛂไᚚࡢࢩ࣑࣮ࣗࣞࢩࣙ 16 添付資料 4 ࣥ, ィ⟬⛉Ꮫ◊✲ࢭࣥࢱ࣮࣏࣮ࣞࢺ 12, 14-17 (2012). ᒣᓮ 㤾, Ⳣ㔝 Ꮫ, Ἑ㔝⿱ᙪ, ගࡼࡗ࡚ᘬࡁ㉳ࡇࡉࢀࡿᏛᛂࡢ㔞ᏊຊᏛᇶ࡙ࡃ⌮ㄽゎᯒ ―㠀 ᩿⇕㑄⛣ࢆᘬࡁ㉳ࡇࡍ㗹ᕪࡢྲྀࡾᢅ࠸ࡘ࠸࡚―, ᮾᏛࢧࣂ࣮ࢧ࢚ࣥࢫࢭࣥࢱ࣮ つᶍ ⛉Ꮫィ⟬ࢩࢫࢸ࣒ᗈሗ㸦SENAC㸧45, No.4, 1-9(2012). Ἑ㔝⿱ᙪ㸪C60 ࡢ㧗ᙉᗘ࣮ࣞࢨ࣮ບ㉳ࢲࢼ࣑ࢡࢫ㸪࣮ࣞࢨ࣮Ꮫ㸪ᏛࡢせⅬࢩ࣮ࣜࢬ㸲㸦᪥ᮏ Ꮫ⦅㸧㸪ඹ❧ฟ∧㸪96−97 (2012) . [ᏛⓎ⾲] ࣭ᣍᚅㅮ₇㸦ᅜෆ㆟㸧 㧗ሯኵ㸪ศᏊෆ㟁Ꮚࢲࢼ࣑ࢡࢫࡢ┤᥋ほ ࡘ࠸࡚㸪≀ᛶ◊✲ᡤ ィ⟬≀㉁⛉Ꮫ◊✲ࢭࣥࢱ࣮ ➨㸰 ᅇࢩ࣏ࣥࢪ࣒࢘ 㹼ᐇ㦂࣭ィ ࣭ィ⟬㐃ᦠࡢ᪂ᒎ㛤㹼㸪2012/10/22-23㸪ᮾ≀ᛶ◊ 㧗ሯኵ㸪㔞Ꮚྂᛂ࠾ࡅࡿ≉␗Ⅼࡢ㝖ཤ㸸㉸ከయ㔞ᏊືຊᏛྥࡅ࡚㸪➨ 3 ᅇ㹁㹋㹑㹇◊✲㹼 ㉸୪ิィ⟬ࡀᣅࡃ᪂ࡋ࠸ィ⟬≀㉁⛉Ꮫ㹼㸪2012/12/3-5㸪⮬↛⛉Ꮫ◊✲ᶵᵓ ᒸᓮࢥࣥࣇࣞࣥࢫࢭࣥࢱ ࣮ Ἑ㔝 ⿱ᙪ㸪ィ⟬⛉Ꮫ㉸㧗㏿ගບ㉳ศᏊࡢࢲࢼ࣑ࢡࢫ㸪➨6ᅇᨺᑕග㐃ᦠ◊✲࣮࣡ࢡࢩࣙࢵࣉ㸦➨2 ᅇRSC/CMSIྜྠࢭ࣑ࢼ࣮㸧 ―㔞Ꮚ⛛ᗎ◊✲/Ⓨ≀㉁⛉Ꮫ/つᶍィ⟬⛉Ꮫࡢ༠ዌ―㸪2013ᖺ2᭶14᪥㸪 ᮾிᏛᒣୖ㤋. ࣭ᣍᚅㅮ₇㸦ᅜ㝿㆟㸧 Kazuo Takatsuka, Dynamics of electrons in molecules and its nonadiabatic coupling with nuclei: observation and control, Festschrift for Prof. Vince McKoy, 2012/6/8-9, California State univ., USA. Kazuo Takatsuka, Kengo Nagashima & Takehiro Yonehara, Nonadiabatic electron dynamics in chemical reactions, Advances in Quantum Chemistry: Interfacing Electronic Structure with Dynamics, 2012/6/20-22, University of Minnesota, USA. Kazuo Takatsuka, Theory of Nonadiabatic Electronic and Nuclear Dynamics in Laser Fields; Observation and Control, Frontiers in Optics 2012 Laser Science XXVIII, 2012/10/14-18, Rochester Riverside Convention Center, USA. Kazuo Takatsuka, Nonadiabatic Electron Dynamics in Electron Transfer, Proton Transfer, Coupled Electron-proton Transfer, An International Conference on: "Electronic Structure and Dynamics of Molecules and Clusters", 2013/2/17-20, Indian Association for the Cultivation of Science, India. Hirohiko Kono, Naoyuki Niitsu, Kaoru Yamazaki, Akinobu Ikeda, Manabu Kanno, Koichiro Mitsuke, Mikito Toda, Stephan Irle, Simulation of nuclear dynamics of C60 and its derivatives: From 17 添付資料 4 vibrational excitation by near-IR femtosecond laser pulses to subsequent reactions, the International Symposium on Computational Sciences (ISCS2012), August 15 (2012), Shanghai, China. Hirohiko Kono, Electron dynamics of molecules beyond the mean field picture: Multiconfiguration time-dependent Hartree-Fock method, International Symposium on Ultrafast Intense Laser Science 11, Oct.23 (2012), Shilla hotel, Jeju, Korea. Hirohiko Kono,Shu Ohmura, Takayuki Oyamada, Tsuyoshi Kato, and Shiro Koseki, Multielectron Dynamics of Molecules: The Chemical Potentials of Time-Dependent Electron Configurations and Molecular Orbitals 10th Asian International Seminar on Atomic and Molecular Physics, Oct. 25 (2012), Taipei, Taiwan, Republic of China. Hirohiko Kono, Electronic and reaction dynamics of molecules interacting with intense laser pulses, Dec.15 (2012), Indian Institute of Science Education and Research-Kolkata (IISER-K), Kolkata, India. ཱྀ࣭㢌Ⓨ⾲㸦ᅜෆ㆟࡛ᰝㄞࡢ࠶ࡿࡶࡢ㸧 㧗ሯኵ࣭㧗ᶫ⪽, ㉸ከయ༙ྂຊᏛࡢᵓ⠏, ➨ 15 ᅇ⌮ㄽᏛウㄽ, 2012/5/24-26 ྎᕷ⚟♴ࣉࣛࢨ ཱྀ࣭㢌Ⓨ⾲㸦ᅜ㝿㆟࡛ᰝㄞࡢ࠶ࡿࡶࡢ㸧 㹙ࣉࣞࢫ࣮ࣜࣜࢫ㸭ྲྀᮦᑐᛂ㹛 㹙ⴭస≀㹛 㧗ሯ ኵ㸬ᕧศᏊࡢ⌮ㄽᇶ♏, ᪂ࡋ࠸ᛂືຊᏛ̺㟁ᏊཎᏊ᰾ࡢ㐠ືࡢ⤡ࡳྜ࠸̺㸬ᕧศᏊ ⣔ࡢィ⟬Ꮫ̺㉸ᆺィ⟬ᶵ௦ࡢ⌮ㄽᏛࡢ᪂ᒎ㛤㸬12-22, 61-69㸬Ꮫྠே(ி㒔)㸬2012. [≉チ➼ࡢ▱ⓗ㈈⏘ྲྀᚓ㛵ࡍࡿ௳] [ཷ㈹➼] 18 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨୍㒊㻌 ㄢ㢟ྡ䠖㻌 㟁Ꮚ≧ែ䞉ືຊᏛ䞉⇕ᦂ䜙䛞䛾⼥䛸ศᏊ⌮ㄽ䛾᪂ᒎ㛤㻌 㡯┠ྡ䠖㻌 จ⦰ศᏊ⛉Ꮫ⣔࠾ࡅࡿᦂࡽࡂࢲࢼ࣑ࢡࢫ㻌 㡯┠௦⾲⪅䠖㻌 ᩧ⸨┿ྖ㻌 ᡤᒓ䠖㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 㻌 1. K. Ohta, J. Tayama, S. Saito, and K. Tominaga, Vibrational Frequency Fluctuation of Ions in Aqueous Solutions Studied by Three-Pulse Infrared Photon Echo Method, Acc. Chem. Res. 45, 1982 (2012) (invited). 2. K. Kim and S. Saito, Multiple Length and Time Scales of Dynamic Heterogeneities in Model Glass-Forming Liquids: A Systematic Analysis of Multi-Point and Multi-Time Correlations, J. Chem. Phys., Special Topic: Glass Transition, 138, 12A506 (2013) (invited). 3. M. Higashi, S. Hirai, M. Banno, K. Ohta, S. Saito, and K. Tominaga, Theoretical and experimental studies on vibrational energy relaxation of the CO stretching mode of acetone in alcohol solutions, J. Phys. Chem. B, DOI: 10.1021/jp310621p (invited). 4. S. Imoto, S. Xantheas, and S. Saito, Molecular origin of the difference in the HOH bend of the IR spectra between liquid water and ice, J. Chem. Phys., 138, 054506 (2013). 5. S. Saito, I. Ohmine, and B. Bagchi, Frequency dependence of specific heat in supercooled liquid water and emergence of correlated dynamics, J. Chem. Phys., 138, 094503 (2013). 6. K. Iida, H. Sato*, Theoretical study on ionization process in aqueous solution,͒J. Chem. Phys. 136, 144510 (2012). 7. H. Ando, S. Iuchi, H. Sato*, Theoretical study on ultrafast intersystem crossing of chromium(III) acetylacetonate, Chem. Phys. Lett. 535, 177-181 (2012). 8. K. Kido, D. Yokogawa, H. Sato*, The development of a revised version of multi-center molecular Ornstein–Zernike equation, Chem. Phys. Lett. 531, 223-228 (2012). 9. K. Kido, D. Yokogawa, H. Sato*, A modified repulsive bridge correction to accurate evaluation of solvation free energy in integral equation theory for molecular liquids, J. Chem. Phys. 137, 024106 (2012). 10. K. Iida, H. Sato*, A theory for time-dependent solvation structure near solid-liquid interface, J. Chem. Phys. 136, 244502 (2012). 11. K. Iida, H. Sato*, An extended formula of site-site Smoluchowski-Vlasov equation for electrolyte solution and infinitely dilute solution, J. Chem. Phys. 137, 034506 (2012). 12. A. Ishikawa, Y. Tanimura, Y. Nakao, H. Sato, S. Sakaki*, Complicated Electronic Process of C-C σ-Bond Activation of Cyclopropene by Ruthenium and Iridium Complexes: Theoretical Study, Organometallics, 31, 8189-8199 (2012). 13. S. I. Nishimura, M. Ueda, and M. Sasai, Non-Brownian dynamics and strategy of amoeboid cell locomotion, Phys. Rev. E 85, 041909_1-8 (2012). 19 添付資料 4 [⥲ ⥲ㄝ䚸ゎㄝ] 1. T. Yagasaki and S. Saito, Fluctuations and Relaxation Dynamics of Liquid Water Revealed by Linear and Nonlinear Spectroscopy, Annu. Rev. Phys. Chem. 64, 55-75 (2013) (invited). 2. ➲⌮⏕䚸ᑎ⏣ᬛᶞ䠈⏕యศᏊ䛾䛴䛟䜛䝅䝇䝔䝮䠈173-219 䝨䞊䝆䠈䝀䝜䝮⣔ィ⟬⛉Ꮫ䠈⨾Ꮿᡂᶞ⦅䠄ィ⟬⛉ Ꮫㅮᗙ➨ 7 ᕳ䠅䠄ඹ❧ฟ∧ 2013䠅 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 㻌 㻝㻚㻌 బ⸨ၨᩥ䚸䛂Ỉ⣲⤖ྜᵓ㐀䛸䛭䛾⌮ㄽᏛ䛃䚸➨ 㻢 ᅇศᏊ⛉Ꮫ䝅䞁䝫䝆䜴䝮䚸㻞㻜㻝㻞 ᖺ 㻢 ᭶䚸᪩✄⏣Ꮫ㻌 す᪩✄⏣䜻䝱䞁䝟䝇㻌 㻞㻚㻌 బ⸨ၨᩥ䚸䛂䜖䜙䛞䛸Ỉ䛾⌮ㄽᏛ䛃䚸᪂Ꮫ⾡㡿ᇦ◊✲䛂ᦂ䜙䛞䛸⏕యᶵ⬟䛃䞉䛂Ỉ䜢ᙺ䛸䛧䛯 㻭㼀㻼 䜶䝛䝹䜼 䞊ኚ䛃ྜྠබ㛤䝅䞁䝫䝆䜴䝮䛂䜖䜙䛞䛸Ỉ䠉⏕䛾䜶䝛䝹䜼䞊䛸ᶵ⬟䛾ศᏊᶵᵓ䜢᥈䜛䛃䚸㻞㻜㻝㻞 ᖺ 㻥 ᭶䚸㜰 䜺䞊䝕䞁䝟䝺䝇㻌 㻟㻚㻌 బ⸨ၨᩥ䚸䇾㻹㼛㼘㼑㼏㼡㼘㼍㼞㻌㼠㼔㼑㼛㼞㼥㻌㼛㼒㻌㼏㼔㼑㼙㼕㼏㼍㼘㻌㼜㼞㼛㼏㼑㼟㼟㼑㼟㻌㼕㼚㻌㼟㼛㼘㼡㼠㼕㼛㼚㻦㻌㻱㼒㼒㼕㼏㼕㼑㼚㼠㻌㻹㼛㼐㼑㼘㼟㻌㼒㼛㼞㻌㻯㼔㼑㼙㼕㼏㼍㼘㻌㻾㼑㼍㼏㼠㼕㼛㼚㻌㼍㼚㼐㻌 㻱㼝㼡㼕㼘㼕㼎㼞㼕㼡㼙㻌㼕㼚㻌㻿㼛㼘㼡㼠㼕㼛㼚㻌㻼㼔㼍㼟㼑䇿㻌 䚸㻞㻜㻝㻟㻌㼃㼛㼞㼗㼟㼔㼛㼜㻌㼛㼚㻌㻟㻰㻾㻵㻿㻹㻛㻾㻵㻿㻹㻦㻌㻼㼞㼑㼟㼑㼚㼠㻌㼍㼚㼐㻌㻲㼡㼠㼡㼞㼑䚸㻞㻜㻝㻟 ᖺ 㻟 ᭶䚸㻌 ❧㤋Ꮫ㻌 䛟䛥䛴䜻䝱䞁䝟䝇㻌 㻠㻚㻌 ➲⌮⏕㻘㻌 ⺮ⓑ㉁ᵓ㐀䛾ᩚྜᛶཎ⌮䛸䛭䛾ᣑᙇ㻘㻌 ➨ 㻡㻜 ᅇ⏕≀≀⌮Ꮫᖺ㻌 㻿㼑㼜㻞㻞㻙㻞㻠㻌 㻔㻞㻜㻝㻞㻕㻘㻌 ྡྂᒇ Ꮫ㻌 㻡㻚㻌 ➲⌮⏕䠈㻷㼍㼕 ⺮ⓑ㉁ື⣔䛻䛚䛡䜛⌮ㄽⓗㄢ㢟㻘㻌 ᪥ᮏ⺮ⓑ㉁⛉Ꮫᖺ䠈㻶㼡㼚㼑㻞㻜㻙㻞㻞㻌㻔㻞㻜㻝㻞㻕㻘㻌 ྡྂᒇ㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻌 1. S. Saito, Dynamics of liquid water: Energy relaxations and fluctuations, 244th ACS National Meeting & Exposition, Aug. 19-23, (2012), Philadelphia, USA. 2. S. Saito, Dynamics of Liquid and Supercooled Water, Indo-Japan Workshop in Recent Advances in Spectroscopy and Microscopy: Fundamentals and Applications to Materials and Biology, Nov. 21-22 (2012), Hyderabad, India. 3. H. Sato, Molecular Theory of Chemical Processes in Solution: Chemical Reaction, Equilibrium and Dynamics, the Institute of Atomic and Molecular Sciences, Academia Sinica䚸November 2012䚸Taipei 4. M. Sasai, From "New View" to "A Further View" of Protein Folding.International Symposium on Protein Folding and its Biological Significance. March 4 − 6, (2013), ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊. 5. M. Sasai, Structure of free energy landscapes of protein folding and function. iCeMS Symposium on Theoretical and Computational Biology March 1 (2013), ி㒔Ꮫ. 6. M. Sasai, Heterogeneous dynamics and fluctuations in biomolecular networks, RIKEN Quantitative Biology Center Inaugural Symposium "Towards Whole-Cell Modeling", Nov.5-7 (2012), ⚄ᡞᅜ㝿㆟ሙ. 7. M. Sasai, Structure of free energy surfaces of protein folding and function䠈Workshop on 䇾Molecular Functional Dynamics: Fundamental to Life Activity䇿, October 26 (2012), ศᏊ⛉Ꮫ◊✲ᡤ. 8. M. Sasai, Revisiting the consistency principle of protein conformational change, KIAS 䠈 "12th KIAS Conference on Protein Structure and Function", October 11-13 (2012), Seoul. 9. M. Sasai, Slow dynamics of chromatins and non-adiabatic gene switches, Characterizing Landscapes: From 20 添付資料 4 Biomolecules to Cellular Networks, June 11-15 (2012), Telluride, Colorado. 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㻝㻚㻌 ᩧ⸨┿ྖ䚸จ⦰⣔䛾ᦂ䜙䛞䚸⦆䛸ศගἲ䚸㻯㻿㻶 䜹䝺䞁䝖䝺䝡䝳䞊㻌 㻜㻤䠄ศᢸᇳ➹䠅䚸㻣㻢㻙㻤㻝㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻞㻚㻌 ᩧ⸨┿ྖ䚸ḟඖ㉥እศගἲ䛾⌮ㄽ䛚䜘䜃Ỉ䛾ศᏊ㛫䝎䜲䝘䝭䝑䜽䝇䛾ゎᯒ䚸᪥ᮏ㉥እ⥺Ꮫㄅ 㻤㻜䚸 㻞㻞㻙㻟㻜㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻟㻚㻌 బ⸨ၨᩥ䚸䜲䜸䞁ᾮయ䛾⛉Ꮫ䌦᪂ୡ௦ᾮయ䜈䛾ᣮᡓ䛃䠄ศᢸᇳ➹䠅ၿᰴᘧ♫㻔㻞㻜㻝㻞㻕㻚㻌 㻠㻚㻌 బ⸨ၨᩥ䚸ᕧศᏊ⣔䛾ィ⟬Ꮫ㻙㉸ᆺィ⟬ᶵ௦䛾⌮ㄽᏛ䛾᪂ᒎ㛤䛃㻯㻿㻶 䜹䝺䞁䝖䝺䝡䝳䞊䠄ศᢸᇳ ➹䠅᪥ᮏᏛ㻌 㻔㻞㻜㻝㻞㻕㻚㻌 㻡㻚㻌 బ⸨ၨᩥ䚸ෆဴ䚸䈊㘒యᏛ㑅᭩䠒䛂㘒య䛾⁐ᾮᏛ䛃䠄ศᢸᇳ➹䠅䚸୕ඹฟ∧㻌 㻔㻞㻜㻝㻞㻕㻚㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 21 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨㒊䛂ḟୡ௦ඛ➃䝕䝞䜲䝇⛉Ꮫ䛃㻌 ㄢ㢟ྡ䠖㻌 ᐦᗘỗ㛵ᩘἲ䛻䜘䜛䝘䝜ᵓ㐀䛾㟁Ꮚᶵ⬟ண 䛻㛵䛩䜛◊✲㻌 ㄢ㢟௦⾲⪅䠖㻌 ᢲᒣ㻌 ῟㻌 ᡤᒓ䠖㻌 ᮾிᏛᏛ㝔ᕤᏛ⣔◊✲⛉㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 1. Y. Matsushita, S. Furuya adn A. Oshiyama, Floating Electron States in Covalent Semiconductors, Phys. Rev. Lett. 108, 246404 (2012). 2. K. Koizumi, M. Boero, Y. Shigeta,and A. Oshiyama, Microscopic Mechanisms of Initial Oxidationof Si(100): Reaction Pathways and Free-Energy Barriers, Phys. Rev. B 85, 205314 (2012). 3. Y. Fujimoto and A. Oshiyama, Structural Stability and Scanning Tunneling Microscopy Images of Strained Ge Films on Si(001), Phys. Rev. B 87, 075323 (2013). 4. Yasuteru Shigeta, Tomoya Inui, Takeshi Baba, Katsuki Okuno, Hiroyuki Kuwabara, Ryohei Kishi, Masayoshi Nakano, Quantal cumulant mechanics and dynamics for multidimensional quantum many-body clusters, International Journal of Quantum Chemistry, vol. 113, No. 3, pp.348-355, 2013 (DOI: 10.1002/qua.24052). 5. Toru Matsui, Yasutaka Kitagawa, Mitsutaka Okumura, Yasuteru Shigeta, Shigeyoshi Sakaki, “Consistent scheme for computing standard hydrogen electrode and redox potentials”, Journal of Computational Chemistry, vol. 34, No. 1, pp.21-26. 2013 (DOI:10.1002/jcc.23100) 6. Takashi Kojima and Tomoya Ono, First-principles study on transport property of peapods, Current Applied Physics 12(3) S100-S104 (2012). 7. Tomoya Ono, Yoshiyuki Egami, and Kikuji Hirose, First-principles transport calculation method based on real-space finite-difference nonequilibrium Green’s function scheme, Physical Review B 86(19) 195406 1-13 (2012). 8. Tomoya Ono, First-principles calculation of scattering potentials of Si-Ge and Sn-Ge dimers on Ge(001) surfaces, Physical Review B 87(8) 085311 1-6 (2013). 9. T. Otsuka and T. Miyazaki, ”A quantum chemistry study of Ds-Pa unnatural DNA base pair”, Int. J. Quantum Chem. Vol. 113, p504-509 (2013). 10. T. Tsumuraya, H. Seo, M. Tsuchiizu, R. Kato and T. Miyazaki, “Cation dependence of the electronic states in molecular triangular lattice systems beta’-X[Pd(dmit)2]2: A first-principles study, J. Phys. Soc. Jpn. Vol. 82, 033709-1-4 (2013). 11. T. Kiss, A. Chainani, H. M. Yamamoto, T. Miyazaki, T. Akimoto, T. Shimojima, K. Ishizaki, S. Watanabe, C. –T. Chen, A. Fukaya, R. Kato and S. Shin, “Quasiparticles and Fermi liquid behavior in an organic metal”, Nat. Commun. 3, 1089-1-5 (2012). 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 㻝㻚 ᢲᒣ῟䚸㼌㼌➨୍ཎ⌮䛻ᇶ䛵䛟≀㉁ィ⟬䛾⌧≧䛸ᒎᮃ㻎㻌 ᪥ᮏ䝅䝭䝳䝺䞊䝅䝵䞁Ꮫㄅ㻌 㻌 31, 11 (2012)㻚㻌 㻞㻚 ᒾ⏣₶୍䚸ྂᐙ┿அ䚸ᢲᒣ῟䚸㼌㼌ᐇ✵㛫ᐦᗘỗ㛵ᩘἲ䝁䞊䝗 㻾㻿㻰㻲㼀 䛻䜘䜛つᶍ➨୍ཎ⌮ィ⟬㻎㻌 ィ⟬ ᕤᏛ㻌 17, 22 (2012).㻌 㻟㻚 ྂᐙ┿அ䚸ᒾ⏣₶୍䚸㛗㇂ᕝᖾᏹ䚸ᯇୗ㞝୍㑻䚸ᢲᒣ῟䚸㈡㇂ಙᖾ䚸䛂䝅䝸䝁䞁䝘䝜䝽䜲䝲䛾䝅䝭䝳䝺䞊䝅 22 添付資料 4 䝵䞁䛸䃟㻙㻯㻭㼂㻱 䝅䝇䝔䝮䛻䜘䜛ྍど䛃䚸ྍどሗᏛㄅ䠈32, 138-143 (2012)㻚㻌 㻌 㻠㻚 Tomoya Ono, Yoshitaka Fujimoto, and Shigeru Tsukamoto, First-principles calculation methods for obtaining scattering waves to investigate transport properties of nanostructures, Quantum Matter 1(1) 4-19 (2012).㻌 㻡㻚 ⠛ཎᗣ䚸எ㒊ᬛோ䚸ᒾ⏣₶୍䚸▮ⰼ୍ᾈ䠈䛂➨୍ཎ⌮ィ⟬䛷᥈䜛䝁䝠䞊䝺䞁䝖䝣䜷䝜䞁䛾⏕ᡂᶵᵓ䛃䠈᪥ᮏ ≀⌮Ꮫㄅ䠈ᰝㄞ᭷䠈67, 685-689 (2012).㻌 㻢㻚 ᭷⏣㏻ᮁࠊᐑᓮ๛ࠊ ࠕ࣮࢜ࢲ࣮1 ἲࢆ⏝࠸ࡓつᶍ➨୍ཎ⌮ィ⟬㸸ࢼࣀᵓ㐀≀㉁ࠊᕧᛶᑐศᏊ ᑐࡍࡿ➨୍ཎ⌮ィ⟬ࠖࠊ⢭ᐦᕤᏛ㉸⢭ᐦຍᕤᑓ㛛ጤဨㄅࠕ㉸⢭ᐦࠖ Vol. 18, 50-55 (2012)㻌 㻌 㼇ᏛⓎ⾲㼉㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 1. 㔜⏣⫱↷ࠊࠕ⏕యෆᏛᛂゎᯒࡢᇶ♏ࠖࠊ➨㸰ᅇ 㔞ᏊᏛ࢘ࣥࢱ࣮ࢫࢡ࣮ࣝࠊᒸᓮࢥࣥࣇ ࣞࣥࢫࢭࣥࢱ࣮࣭ศᏊ⛉Ꮫ◊✲ᡤ ࠊ㸰㸮㸯㸰ᖺ㸯㸰᭶㸯㸵᪥ࠥ㸯㸶᪥ 2. 㔜⏣⫱↷ࠊࠕ➨୍ཎ⌮ィ⟬ࡼࡿ⏕యෆᛂゎᯒࠖࠊ⚄ᡞᏛ➨ 4 ᅇ༠ᐃㅮᗙࢩ࣏ࣥࢪ࣒࢘ ࠕィ ⟬⏕≀Ꮫᮦᩱ⛉Ꮫࡢ⼥ྜࠖࠊ⚄ᡞᏛ⤫ྜ◊✲ᣐⅬ ࢥࣥ࣋ࣥࢩ࣮ࣙࣥ࣍ࣝࠊ㸰㸮㸯㸰ᖺ㸯㸰᭶ 㸯㸷᪥ 㻟㻚 ෆ⏣அ䚸䇾䠎ᒙ䜾䝷䝣䜵䞁⣔䛾㟁Ꮚᵓ㐀䇿䚸᪥ᮏ≀⌮Ꮫ䚸䠎䠌䠍䠏ᖺ䠏᭶䠎䠓᪥䚸ᗈᓥᏛ㻌 4. ᒾ⏣₶୍,ࠕ➨୍ཎ⌮ィ⟬ࡼࡿ༙ᑟయᮦᩱタィࠖ,➨ 60 ᅇᛂ⏝≀⌮ᏛᮇᏛ⾡ㅮ₇ࢩ࣏ࣥࢪ࢘ ࣒༙͆ᑟయࣔࢹࣜࣥࢢ͌ࢩ࣑࣮ࣗࣞࢩࣙࣥᢏ⾡ࡢ⌧≧ᑗ᮶ᒎᮃ͇,2013 ᖺ 3 ᭶ 27 ᪥,⚄ዉᕝᕤ⛉ Ꮫ ᐑᓮ๛ࠊ͆」㞧⏕య⣔ᑐࡍࡿཎᏊ➨୍ཎ⌮ィ⟬͇᪥ᮏ≀⌮Ꮫ➨㸴㸶ᅇᖺḟࠊ㡿ᇦ ྜྠࢩ࣏ࣥࢪ࣒࢘ࠕỈ⣲⤖ྜศᩓຊ㛵ࡍࡿ➨୍ཎ⌮ィ⟬ࡢ⌧≧ㄢ㢟ࠖ ࠊᗈ ᓥᏛᮾᗈᓥ࢟ࣕࣥࣃࢫ ᖺ ᭶ ᪥ ᪥ࠋ ᐑᓮ๛ࠊ͆」㞧⏕య⣔ᑐࡍࡿཎᏊ➨୍ཎ⌮ィ⟬͇ศᏊ◊◊✲ࠕ⏕≀≀㉁⛉Ꮫࡢᒎᮃࠖࠊ ศᏊ⛉Ꮫ◊✲ᡤࠊ ᖺ ᭶ ᪥ ᪥ࠋ 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 1. A. Oshiyama, ``Materials Design through Computics: Nanostructures of Silicon and Carbon" 10th Int. Meeting on High Peformance Computing for Computational Science (VECPAR2012), July 17-20, 2012, Kobe, Japan). 2. A. Oshiyama, ``Real-Space Density-Functional Approach to Electronic Properties of Nanostructures" Conference on Computaional Physics, (October 14-18, 2012, Kobe, Japan) 3. Yasuteru ShigetaࠊࠕTheoretical Studies on Current-voltage (I-V) Characteristics of Metal Containing Artificial DNA and Ni Complex Based Molecular Devicesࠖ ࠊ2012 Workshop on Innovative Nanoscale Devices and Systems (WINDS)ࠊHapuna Beach Hotel, Hawaii, USAࠊ㸰㸮㸯㸰ᖺ㸯㸰᭶㸰᪥ࠥ㸵᪥ 4. Yasuteru Shigetaࠊ”Design of Nylon Oligomer Hydrolase on the Basis of Simulations”, BIT’s 3rd Symposium on Enzymes & Biocatalysis 2012, Xian, China, 㸰㸮㸯㸰ᖺ㸲᭶㸰㸳᪥ࠥ㸰㸶᪥. 5. Tomoya Ono, First-principles study on transport properties of carbon based nano-systems, Material Simulation in Petaflops, (July 12 -13, 2012, Kashiwa, Japan). 6. Tomoya Ono, First-principles study on electron transport property of nanoscale systems, International Symposium of Computational Science 2013 Special Session [Spintronics: First-Principles Simulation & Measurement] (February 18-19, 2013, Kanazawa, Japan). 23 添付資料 4 7. Kazuyuki Uchida, ”Large-scale DFT calculations for twisted bilayer graphenes”, Graphene Workshop, 2012/9/25, Tokyo Institute of Technology 8. J. Iwata, “Real-space grid density functional theory calculations”, Material Simulation in Petaflops era (MASP2012), July 12, 2012, Kashiwa, Japan 9. J.-I. Iwata, “First-principles electronic structure calculations with K computer”, Theory and Applications of Computational Chemistry (TACC2012), 2-7 Sep, 2012, Pavia, Italy 10. J.-I. Iwata, “First-principles electronic structure calculations for 100,000-atom systems with real-space density functional theory code”, International Union of Material Research Societies – International Conference on Electronic Materials (IUMRS-ICEM 2012), 23-28 Sep, 2012, Yokohama, Japan 11. J.-I. Iwata, “Large-scale electronic structure calculations with real-space grid density functional theory code”, International conference on Simulation Technology, Sep. 27-28, 2012, Kobe, Japan 12. J.-I. Iwata, S. Furuya, Y. Futamura, T. Sakurai, “Band Structure Calculations of Large-Scale Systems by Sakurai-Sugiura Method”, International Symposium on Computics: Quantum Simulation and Design (ISC-QSD), Oct. 11-13, Osaka University Hall, Japan 13. T. Miyazaki, “Atomic and electronic structures of BEDT-TTF and M(dmit)2 systems at high pressures: A first-principles study of organic molecular solids”, IUCrHP2012/QuBS2012 “Advances in Crystallography at High Pressures” International Symposium of the Quantum Beam Science Directorate, Japan Atomic Energy Agency, HOTEL LAKE VIEW MITO (Mito, Ibaraki, Japan), Sep. 23-27, 2012. 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 1. Tomoya Ono, Atomic configuration and transport property of electron-beam irradiated C60 film, International Symposium on Carbon Nanotube Nanoelectronics, (June 11-13, 2012, Nagoya, Japan), P53. 2. Tomoya Ono, Fully spin-dependent transport property of graphene nanoflake, International Conference on Nanoscience + Technology (ICN+T2012), (July 23-27, 2012, Paris, France), GT-1.5. 3. Tomoya Ono, First-principles transport calculation method using real-space finite-difference NEGF scheme, International Symposium on Computics: Quantum Simulation and Design (ISC-QSD), (October 11-13, 2012, Osaka, Japan), O-4. 4. Marcus Heide and Tomoya Ono, Efficient Relaxation of Magnetic Moments in Noncollinear DFT Calculations, International Symposium on Computics: Quantum Simulation and Design (ISC-QSD), (October 11-13, 2012, Osaka, Japan), P-33. 5. Marcus Heide and Tomoya Ono, Effcient relaxation of magnetic moments in noncollinear DFT calculations, Conference on Computational Physics 2012, (October 14-18, 2012, Kobe, Japan), 126. 6. Tomoya Ono, First-Principles Study on Scattering Potentials of Defects on Ge(001) Surfaces, 15th Asian Workshop on First-Principles Electronic Structure Calculations (ASIAN-15), (November 5-7, 2012, Taipei, Taiwan), P13 7. Tomoya Ono, Scattering potentials of defects on Ge(001) surfaces, 16th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, (January 10-12, 2013, Trieste, Italy). 㻌 24 添付資料 4 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻝㻚 ᢲᒣ῟㻘㻌㼌㼌➨୍ཎ⌮䛻ᇶ䛵䛟≀㉁ィ⟬䛾⌧≧䛸ᒎᮃ㻎㻌 ᪥ᮏ䝅䝭䝳䝺䞊䝅䝵䞁Ꮫㄅ㻌 31, 11 (2012)㻌 㻞㻚 䠄⦅㞟䠅Ᏹᕝᙲ䚸ᢲᒣ῟䚸ᑠᰗ⩏ኵ䚸ᮡཎṇ㢷䚸ఫ᫂ṇ䚸୰ᮧᮌ䚸ᒾἼㅮᗙ䛂ィ⟬⛉Ꮫ䛃 㻢 ᕳ䞉ูᕳ 㻝㻌 㻔㻞㻜㻝㻞䚸ᒾἼ᭩ᗑ㻕㻌 㻟㻚 ᢲᒣ῟䚸ィ⟬䛸≀㉁䠄ᒾἼㅮᗙ䛂ィ⟬⛉Ꮫ䛃➨ 㻟 ᕳ䠅㻌 㻔㻞㻜㻝㻞䚸ᒾἼ᭩ᗑ㻕㻚㻌 㻌 4. Yasuteru Shigeta, ”Quantal Cumulant Mechanics as Extended Ehrenfest Theorem”, Chapter 17 of Quantum Mechanics 2013, InTech open (ISBN 980-953-307-945-0). 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 䛺䛧㻌 㼇ཷ㈹➼㼉㻌 䠍䠊➨ 5 ᅇศᏊ⛉Ꮫዡບ㈹䚸㔜⏣⫱↷䚸䠎䠌䠍䠎ᖺ䠕᭶䠍䠔᪥ 㻌 㻌 25 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨䠎㒊㻌 ㄢ㢟ྡ䠖㻌 䝘䝜ᵓ㐀䛾㟁Ꮚ≧ែ䛛䜙ᶵᲔⓗᛶ㉁䜎䛷䛾䝬䝹䝏䝇䜿䞊䝹䝅䝭䝳䝺䞊䝅䝵䞁㻌 ㄢ㢟௦⾲⪅䠖㻌 ᑿᙧಟྖ㻌 ᡤᒓ䠖㻌 ྡྂᒇᕤᴗᏛ㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 㻺㼛㼎㼡㼗㼛㻌㻻㼔㼎㼍㻘㻌㻿㼔㼡㼖㼕㻌㻻㼓㼍㼠㼍㻘㻌㼀㼍㼗㼍㼔㼕㼟㼍㻌㻷㼛㼡㼚㼛㻘㻌㼀㼛㼙㼛㼥㼡㼗㼕㻌㼀㼍㼙㼡㼞㼍㻘㻌㼍㼚㼐㻌㻾㼥㼛㻌㻷㼛㼎㼍㼥㼍㼟㼔㼕㻦㻌㻸㼕㼚㼑㼍㼞㻌㼟㼏㼍㼘㼕㼚㼓㻌㼍㼘㼓㼛㼞㼕㼠㼔㼙㻌㼛㼒㻌 㼞㼑㼍㼘㻙㼟㼜㼍㼏㼑㻌㼐㼑㼚㼟㼕㼠㼥㻌㼒㼡㼚㼏㼠㼕㼛㼚㼍㼘㻌㼠㼔㼑㼛㼞㼥㻌㼛㼒㻌㼑㼘㼑㼏㼠㼞㼛㼚㼟㻌㼣㼕㼠㼔㻌㼏㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌㼛㼢㼑㼞㼘㼍㼜㼜㼕㼚㼓㻌㼐㼛㼙㼍㼕㼚㼟㻘㻌㻯㼛㼙㼜㻚㻌㻼㼔㼥㼟㻚㻌㻯㼛㼙㼙㼡㼚㻚㻌 㼂㼛㼘㻚㻌㻝㻤㻟㻘㻌㻝㻢㻢㻠㻙㻝㻢㻣㻟㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻌 㼅㼍㼟㼔㼡㼔㼕㼞㼛㻌㻷㼍㼖㼕㼙㼍㻘㻌㻹㼕㼥㼍㼎㼕㻌㻴㼕㼥㼍㼙㼍㻘㻌㻿㼔㼡㼖㼕㻌㻻㼓㼍㼠㼍㻘㻌㻾㼥㼛㻌㻷㼛㼎㼍㼥㼍㼟㼔㼕㻘㻌㼍㼚㼐㻌㼀㼛㼙㼛㼥㼡㼗㼕㻌㼀㼍㼙㼡㼞㼍㻦㻌㻲㼍㼟㼠㻌㼀㼕㼙㼑㻙㻾㼑㼢㼑㼞㼟㼕㼎㼘㼑㻌 㻭㼘㼓㼛㼞㼕㼠㼔㼙㼟㻌㼒㼛㼞㻌㻹㼛㼘㼑㼏㼡㼘㼍㼞㻌㻰㼥㼚㼍㼙㼕㼏㼟㻌㼛㼒㻌㻾㼕㼓㼕㼐㻙㻮㼛㼐㼥㻌㻿㼥㼟㼠㼑㼙㼟㻘㻌㻶㻚㻌㻯㼔㼑㼙㻚㻌㻼㼔㼥㼟㻚㻘㻌㼂㼛㼘㻚㻌㻝㻟㻢㻘㻌㻵㼟㼟㼡㼑㻌㻞㻟㻘㻌㻞㻟㻠㻝㻜㻡㻙㻝㻙㻤㻌 㻔㻞㻜㻝㻞㻕㻚㻌 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 㻺㼛㼎㼡㼗㼛㻌㻻㼔㼎㼍㻘㻌㻿㼔㼡㼖㼕㻌㻻㼓㼍㼠㼍㻘㻌㼀㼍㼗㼍㼔㼕㼟㼍㻌㻷㼛㼡㼚㼛㻘㻌㼍㼚㼐㻌㻾㼥㼛㼖㼕㻌㻭㼟㼍㼔㼕㻦㻌㻭㻌㼔㼥㼎㼞㼕㼐㻌㼝㼡㼍㼚㼠㼡㼙㻙㼏㼘㼍㼟㼟㼕㼏㼍㼘㻌㼟㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌㼟㼠㼡㼐㼥㻌㼛㼚㻌 㼠㼔㼑㻌㻸㼕㻌㼐㼕㼒㼒㼡㼟㼕㼛㼚㻌㼕㼚㻌㻸㼕㻙㼓㼞㼍㼜㼔㼕㼠㼑㻌㼕㼚㼠㼑㼞㼏㼍㼘㼍㼠㼕㼛㼚㻌㼏㼛㼙㼜㼛㼡㼚㼐㼟㻘㻌㼀㻿㼁㻮㻭㻹㻱㻌㻱㻙㻿㼏㼕㼑㼚㼏㼑㻌㻶㼛㼡㼞㼚㼍㼘㻘㻌㼂㼛㼘㻚㻌㻤㻘㻌㼜㼜㻚㻌㻟㻞㻙㻟㻥㻌㻔㻞㻜㻝㻟㻕㻚㻌 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 ᑿᙧಟྖ䠖ᮦᩱ୰䛾㟁Ꮚ䛜䛹䜣䛺ാ䛝䜢䛧䛶䛔䜛䛛䠈䜏䛶䜏䛯䛟䛿䛺䛔䛷䛩䛛䠛䠈ྡᕤ◊✲༠ຊ➨䠎䠏ᅇᢏ ⾡᠓ヰ䠈ྡྂᒇᕤᴗᏛ䠈㻞㻜㻝㻞 ᖺ 㻡 ᭶ 㻝㻡 ᪥䠈ྡྂᒇ䠊㻌 㻌 ᑿᙧಟྖ䠖䝝䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁㻦䛭䛾㛤Ⓨ䛸㐺⏝䠈➨ 㻞㻝 ᅇ 㻯㻹㻰 䝽䞊䜽䝅䝵䝑䝥䠈㻞㻜㻝㻞 ᖺ 㻥 ᭶ 㻠 ᪥䠈㜰Ꮫ䠊㻌 㻌 ᑿᙧಟྖ䠖䜸䞊䝎䞊㻺㻌 ᐇ✵㛫 㻰㻲㼀 ἲ䜢⏝䛔䛯䝝䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁䠈䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍䝽 䞊䜽䝅䝵䝑䝥 㻞㻜㻝㻟䠈㻞㻜㻝㻟 ᖺ 㻝 ᭶ 㻞㻞 ᪥䠈ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊䠊㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻿㼔㼡㼖㼕㻌㻻㼓㼍㼠㼍㻦㻌㻴㼥㼎㼞㼕㼐㼕㼦㼍㼠㼕㼛㼚㻌㼛㼒㻌㻻㼞㼐㼑㼞㻙㻺㻌㼞㼑㼍㼘㻙㼟㼜㼍㼏㼑㻙㼓㼞㼕㼐㻌㻰㻲㼀㻌㼍㼚㼐㻌㼏㼘㼍㼟㼟㼕㼏㼍㼘㻌㼙㼛㼘㼑㼏㼡㼘㼍㼞㻌㼐㼥㼚㼍㼙㼕㼏㼟㻌㼒㼛㼞㻌㼚㼍㼚㼛㻙㼟㼥㼟㼠㼑㼙㼟㻘㻌 㼀㼔㼑㻌㻿㼑㼏㼛㼚㼐㻌㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㻿㼥㼙㼜㼛㼟㼕㼡㼙㻌㼛㼚㻌㻸㼍㼞㼓㼑㻙㻿㼏㼍㼘㼑㻌㻯㼛㼙㼜㼡㼠㼍㼠㼕㼛㼚㼍㼘㻌㻿㼏㼕㼑㼚㼏㼑㻌㼍㼚㼐㻌㻱㼚㼓㼕㼚㼑㼑㼞㼕㼚㼓㻘㻌㻿㼏㼕㼑㼚㼏㼑㻌㻯㼛㼡㼚㼏㼕㼘㻌 㼛㼒㻌㻶㼍㼜㼍㼚㻘㻌㻺㼛㼢㻚㻌㻤㻘㻌㻞㻜㻝㻞㻘㻌㼀㼛㼗㼥㼛㻚㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻿㼔㼡㼖㼕㻌 㻻㼓㼍㼠㼍㻘㻌 㻺㼛㼎㼡㼗㼛㻌 㻻㼔㼎㼍㻘㻌 㼀㼍㼗㼍㼔㼕㼟㼍㻌 㻷㼛㼡㼚㼛㻦㻌㻰㼑㼢㼑㼘㼛㼜㼙㼑㼚㼠㻌 㼛㼒㻌 㻻㼞㼐㼑㼞㻙㻺㻌 㻾㼑㼍㼘㻙㻿㼜㼍㼏㼑㻌㻰㻲㼀㻌㼍㼚㼐㻌 㼕㼠㼟㻌㻯㼛㼚㼏㼡㼞㼞㼑㼚㼠㻌 㻴㼥㼎㼞㼕㼐㼕㼦㼍㼠㼕㼛㼚㻌㼣㼕㼠㼔㻌㻹㼛㼘㼑㼏㼡㼘㼍㼞㻌㻰㼥㼚㼍㼙㼕㼏㼟㻘㻌㻹㻾㻿㻞㻜㻝㻞㻌㻿㼜㼞㼕㼚㼓㻌㻹㼑㼑㼠㼕㼚㼓㻘㻌㻭㼜㼞㼕㼘㻌㻝㻜㻘㻌㻞㻜㻝㻞㻘㻌㻿㼍㼚㻌㻲㼞㼍㼚㼏㼕㼟㼏㼛㻚㻌 㻌 ᑿᙧಟྖ䠈Ἑ㔝㈗ஂ䠈ᗞఙᏊ䠖䝝䜲䝤䝸䝑䝗㔞Ꮚྂἲ䛻㐺䛧䛯䜸䞊䝎䞊㻺 ᆺ䛾ᐇ✵㛫䜾䝸䝑䝗ᐦᗘỗ㛵ᩘ䝁 䞊䝗䛾㛤Ⓨ䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 26 添付資料 4 㻌 ᓥ⏣㈗❶㻘㻌 Ἑ㔝㈗ஂ㻘㻌 ⏣ᮧᖾ㻘㻌 ᑠᯘு㻘㻌 ᑿᙧಟྖ䠖䝅䝸䜹୰䛾䜽䝷䝑䜽⏕ᡂ䛻ᑐ䛩䜛ྵ᭷ỈศᏊ䛾ຠᯝ䠖䝝 䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 㻌 ᭹㒊㐩ᚨ䠈Ἑ㔝㈗ஂ䠈⏣ᮧᖾ䠈ᑠᯘு䠈ᑿᙧಟྖ䠖䝘䝜䝃䜲䝈䛾 㻿㼕 㒊ရ㛫䛾䜴䜵䝝䞊䝪䞁䝕䜱䞁䜾㐣⛬䛻㛵 䛩䜛䝝䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 㻌 ᗞఙᏊ䠊ᑿᙧಟྖ䠈Ἑ㔝㈗ஂ䠈ᑠᯘு䠈⏣ᮧᖾ䠈᪫Ⰻྖ䠖㻰㻯㻙㻾㻳㻰㻲㼀 䜢⏝䛔䛯䝝䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳 䝺䞊䝅䝵䞁䠖䜾䝷䝣䜯䜲䝖୰ 㻸㼕 ᣑᩓ䜈䛾㐺⏝䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 㻌 ⏣㈡ᾈ❶䠈ᑿᙧಟྖ䠈ᗞఙᏊ䠈⏣ᮧᖾ䠈ᑠᯘு䠈Ἑ㔝㈗ஂ䠖䝝䜲䝤䝸䝑䝗㔞Ꮚ㻙ྂ䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛 㻸㼕 䜾䝷䝣䜯䜲䝖ᒙ㛫ྜ≀䛸㟁ゎ㉁䛸䛾⏺㠃䛷䛾 㻸㼕 ㍺㏦䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 㻌 ሯᮏ⪔ྖ䠈Ἑ㔝㈗ஂ䠈ᗞఙᏊ䠈⏣ᮧᖾ䠈ᑠᯘு䠈ᑿᙧಟྖ䠖㧗ᅽୗ䛷䛾䜾䝷䝣䜯䜲䝖䛾䝎䜲䜰䝰䞁䝗ᛂ 䛻ᑐ䛩䜛ᒙ㛫ᤄධཎᏊ䛾ຠᯝ䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 㻌 㘬ᓥᗣ⿱䠈ᵽᒣ䜏䜔䜃䠈ᑿᙧಟྖ䠈⏣ᮧᖾ䠈ᑠᯘு䠖つᶍ䛺๛యศᏊ㞟ྜ⣔䛾䛯䜑䛾ྂ㻌 㻹㻰㻌 䝁䞊䝗䛾 㛤Ⓨ䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 㻌 ⩚ὒᖹ䠈㘬ᓥᗣ⿱䠈ᑿᙧಟྖ䠈ᵽᒣ䜏䜔䜃䠈ᑠᯘு䠈⏣ᮧᖾ䠖つᶍ䛺ỈศᏊ䜽䝷䝇䝍䞊䛾እ㒊㟁ሙ䛻ᑐ 䛩䜛㛫ᛂ⟅䛻㛵䛩䜛๛యືຊᏛ䝅䝭䝳䝺䞊䝅䝵䞁䠈➨ 㻞㻡 ᅇィ⟬ຊᏛㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻢 ᪥䠈⚄ᡞ䠊㻌 㻌 ᗞఙᏊ䠈Ἑ㔝㈗ஂ䠈ᑿᙧಟྖ䠖ศ⤫ᆺᐇ✵㛫 㻰㻲㼀 䝁䞊䝗䜢⏝䛔䛯䝝䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁䠈 ➨䠏ᅇ 㻯㻹㻿㻵 ◊✲䠈㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻠 ᪥䠈ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊䠊㻌 㻌 ⏣୰ᏹ୍䠈ᑿᙧಟྖ䠈ᑠᯘு䠈⏣ᮧᖾ䠈≴ሯྖ㻌 ᪂㛫ᩔ䠖ศᏊືຊᏛἲ䜢⏝䛔䛯ᨺ⇕ᮦᩱ䛾䝣䜱䝷㻙ᶞ⬡ ⏺㠃䛷䛾⇕ఏᑟ⋡ゎᯒ䠈᪥ᮏ㔠ᒓᏛ 㻞㻜㻝㻞 ᖺ⛅Ꮨ䠈㻞㻜㻝㻞 ᖺ 㻥 ᭶ 㻝㻤 ᪥䠈ឡᏛ䠊㻌 㻌 ᑿᙧಟྖ䠈ᗞఙᏊ䠈Ἑ㔝㈗ஂ䠈ᑠᯘு䠈⏣ᮧᖾ䠖ᅛయ㟁ゎ㉁⓶⭷䛸㟁ゎᾮ䛸䛾⏺㠃䜢㏻䛨䛯 㻸㼕 䜲䜸䞁䛾⛣ ື䛻㛵䛩䜛ᩘ༓ཎᏊつᶍ䛾➨୍ཎ⌮ 㻹㻰䠈᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻤 ᪥䠈ᗈᓥᏛ䠊㻌 㻌 ᗞఙᏊ䠈ᑿᙧಟྖ䠈Ἑ㔝㈗ஂ䠈ᑠᯘு䠈⏣ᮧᖾ䠈᪫Ⰻྖ䠖䜾䝷䝣䜯䜲䝖୰」ᩘ 㻸㼕 ᣑᩓ䛻㛵䛩䜛䝝䜲䝤䝣䝸䝑䝗 䝖㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁䠈᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻤 ᪥䠈ᗈᓥᏛ䠊㻌 㻌 Ἑ㔝㈗ஂ䠈ᑿᙧಟྖ䠈ᗞఙᏊ䠈⏣ᮧᖾ䠈ᑠᯘு䠖✵ᏍḞ㝗䜢ྵ䜐䜾䝷䝣䜯䜲䝖୰䛾㻌 㻸㼕㻌 ᣑᩓ䛻㛵䛩䜛㻌 䝝䜲 䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁䠈᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻤 ᪥䠈ᗈᓥᏛ䠊㻌 㻌 ᓥ⏣㈗❶䠈Ἑ㔝㈗ஂ䠈⏣ᮧᖾ䠈ᑠᯘு䠈ᑿᙧಟྖ䠖䝅䝸䜹୰䛷䛾ỈศᏊᛂ䛻㛵䛩䜛䝝䜲䝤䝸䝑䝗㔞Ꮚ㻌 ྂ 䝅䝭䝳䝺䞊䝅䝵䞁䠈᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻤 ᪥䠈ᗈᓥᏛ䠊㻌 㻌 ✄ྜྷ㍤䠈⏣ᮧᖾ䠈ᑠᯘு䠈ᑿᙧಟྖ䠖㻸㼕㻌 䜲䜸䞁ḟ㟁ụṇᴟᮦᩱ䛾㓟⣲⬺㞳䝅䝭䝳䝺䞊䝅䝵䞁䠈᪥ᮏ≀⌮Ꮫ ➨ 㻢㻤 ᅇᖺḟ䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻤 ᪥䠈ᗈᓥᏛ䠊㻌 27 添付資料 4 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻿㼔㼡㼖㼕㻌 㻻㼓㼍㼠㼍㻘㻌 㼀㼍㼗㼍㼔㼕㼟㼍㻌 㻷㼛㼡㼚㼛㻘㻌 㼍㼚㼐㻌 㻺㼛㼎㼡㼗㼛㻌 㻻㼔㼎㼍㻦㻌 㻭㼏㼏㼡㼞㼍㼏㼥㻌 㼍㼚㼐㻌 㼀㼕㼙㼕㼚㼓㻌 㼛㼒㻌 㻰㼕㼢㼕㼐㼑㻙㼍㼚㼐㻙㻯㼛㼚㼝㼡㼑㼞㻙㼀㼥㼜㼑㻌 㻾㼑㼍㼘㻙㻿㼜㼍㼏㼑㻌㻳㼞㼕㼐㻌㻰㻲㼀㻌㻔㻰㻯㻙㻾㻳㻰㻲㼀㻕㻌㼒㼛㼞㻌㻴㼥㼎㼞㼕㼐㻌㻽㼡㼍㼚㼠㼡㼙㻙㻯㼘㼍㼟㼟㼕㼏㼍㼘㻌㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻘㻌㻹㻹㻹㻞㻜㻝㻞㻘㻌㻻㼏㼠㻚㻌㻝㻥㼠㼔㻘㻌㻞㻜㻝㻞㻘㻌 㻿㼕㼚㼓㼍㼜㼛㼞㼑㻚㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 ヱᙜ↓䛧㻌 㻌 䠷ⴭస≀䠹㻌 ヱᙜ↓䛧㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 ヱᙜ䛺䛧㻌 㻌 㼇ཷ㈹➼㼉㻌 ᗞఙᏊ䠖㻌 䛂ศ⤫ᆺ 㻰㻲㼀 䝁䞊䝗䜢⏝䛔䛯䝝䜲䝤䝸䝑䝗㔞Ꮚྂ䝅䝭䝳䝺䞊䝅䝵䞁䛃䠈➨ 㻟 ᅇ 㻯㻹㻿㻵 ◊✲㻌 䝡 䝆䝳䜰䝹㈹䠈㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻠 ᪥䠈ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊䠊㻌 㻌 28 添付資料 4 HPCI ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 CMSI ◊✲ㄢ㢟 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲ 㒊ྡ䠖㻌 ➨䠎㒊 ㄢ㢟ྡ䠖㻌 䝘䝜ᵓ㐀య䛻䛚䛡䜛ගㄏ㉳㟁Ꮚ䝎䜲䝘䝭䜽䝇䛸ග䞉㟁Ꮚᶵ⬟ᛶ㔞Ꮚ䝕䝞䜲䝇䛾㛤Ⓨ ㄢ㢟௦⾲⪅䠖㻌 ಙᐃ㻌 ඞᖾ ᡤᒓ䠖㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ⌮ㄽ䞉ィ⟬ศᏊ⛉Ꮫ◊✲㡿ᇦ [ㄽᩥ] T. 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Nobusada, “Near-Field Excitation Dynamics in Nanostructures: Nonuniform and Self-Consistent Light Matter Interaction”, Material Simulation in Petaflops era 2012, 2012.7.2, ISSP, Kashiwa, Chiba, Japan 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅 Ᏻụᬛ୍䚸㔝⏣┿ྐ䚸ಙᐃඞᖾ䚸ᯘᖺ䚸䛂Na䜽䝷䝇䝍䞊䛾䝥䝷䝈䝰䞁ບ㉳䛻䛚䛡䜛㞟ᅋᛶ䛸䝷䝬䞁ቑᙉᶵ ᵓ䜈䛾ᐤ䛃䚸➨䠒ᅇศᏊ⛉Ꮫウㄽ䚸ᖹᡂ24ᖺ9᭶19᪥䚸ᮾᮏ㒓 Ᏻụᬛ୍䚸ಙᐃඞᖾ䚸䛂㈗㔠ᒓ䜽䝷䝇䝍䞊䛻䛚䛡䜛㞟ᅋ㟁Ꮚ㐠ື䛸䝷䝬䞁ቑᙉᶵᵓ䛃䚸㻌 ᪥ᮏᏛ➨93 Ꮨᖺ䚸ᖹᡂ25ᖺ3᭶23᪥䚸❧㤋Ꮫ䜃䜟䛣䞉ⲡὠ䜻䝱䞁䝟䝇 㣤⏣䚸Ᏻụᬛ୍䚸ಙᐃඞᖾ䚸䛂᭷㝈 ᗘᐦᗘỗ㛵ᩘ⌮ㄽ䛸㔞Ꮚ㛤ᨺ⣔䜽䝷䝇䝍䞊䝰䝕䝹䜢⼥ྜ䛧䛯ᡭ ἲ䜢⏝䛔䛯㖟䜲䜸䞁䛾㔠(111)㟁ᴟ䜈䛾䜰䞁䝎䞊䝫䝔䞁䝅䝱䝹䝕䝫䝆䝅䝵䞁䛻㛵䛩䜛⌮ㄽⓗ◊✲䛃䚸᪥ᮏ Ꮫ➨93Ꮨᖺ䚸ᖹᡂ25ᖺ3᭶23᪥䚸❧㤋Ꮫ䜃䜟䛣䞉ⲡὠ䜻䝱䞁䝟䝇 29 添付資料 4 Ჷ᪉㻌 ኴ䞉⸝㔜㻌 ர䞉㻌 ⯟䞉ಙᐃ㻌 ඞᖾ䞉᰿ᓊ㻌 㞝୍䚸MnAu25-n(SeR)18(M=䜰䝹䜹䝸㔠ᒓ)ྜ㔠䜽䝷䝇 䝍䞊䛾〇䛸䝅䝘䝆䞊ຠᯝ䛾ゎ᫂䚸᪥ᮏᏛ➨93Ꮨᖺ䚸ᖹᡂ25ᖺ3᭶23᪥䚸❧㤋Ꮫ䜃䜟䛣䞉 ⲡὠ䜻䝱䞁䝟䝇 ಙᐃඞᖾ䚸㔝⏣┿ྐ䚸䛂䝘䝜ศᏊᵓ㐀య䛻䛚䛡䜛㟁Ꮚ䞉㟁☢ሙ䜹䝑䝥䝸䞁䜾䝎䜲䝘䝭䜽䝇䛾➨୍ཎ⌮ィ⟬䛃䚸 ➨䠒䠌ᅇᛂ⏝≀⌮ᏛᏘᏛ⾡ㅮ₇䚸ᖹᡂ 25 ᖺ 3 ᭶ 28 ᪥䚸⚄ዉᕝᕤ⛉Ꮫ 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅 ヱᙜ↓䛧 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹 ヱᙜ↓䛧 䠷ⴭస≀䠹 ヱᙜ↓䛧 [≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳] ヱᙜ↓䛧 [ཷ㈹➼] ヱᙜ↓䛧 30 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖➨䠎㒊㻌 ㄢ㢟䝇䝢䞁䝖䝻䝙䜽䝇䠋䝬䝹䝏䝣䜵䝻䜲䝑䜽䝇䛾ᛂ⏝䜈ᣦྥ䛧䛯ᮦᩱ᥈⣴䠖㻌 ㄢ㢟௦⾲⪅䠖ᩪ⸨ᓟ㞝㻌 ᡤᒓ䠖㔠ἑᏛ㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 M. Tsujikawa, S. Haraguchi, T. 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Jpn. 82, 044702(1-7), 2013. 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 ᑠ⏣❳ᶞ㸪ཎཱྀ㎮ஓ㸪㎷ᕝ㞞ே,ࠕᙉ☢ᛶ㉸ⷧ⭷࠾ࡅࡿ☢Ẽ␗᪉ᛶ㟁⏺ไᚚࡢ⌮ㄽⓗ◊✲ࠖ㸪ᛂ⏝㟁 Ꮚ≀ᛶศ⛉ㄅ, 18ᕳ5ྕ, 170-175, 2012 31 添付資料 4 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 ᑠ⏣❳ᶞ㻘㻌 䛂ᙉ☢ᛶ㉸ⷧ⭷䛻䛚䛡䜛☢Ẽ␗᪉ᛶ䛸㟁⏺ไᚚ䛾⌮ㄽⓗ◊✲䛃㻘㻌 ᛂ⏝≀⌮Ꮫᛂ⏝㟁Ꮚ≀ᛶศ ⛉䞉䝇䝢䞁䝖䝻䝙䜽䝇◊✲㻌 ඹദ◊✲䛂㻌 ᙉ☢ᛶయ䛾䝇䝢䞁ไᚚᢏ⾡䛸䛭䛾ᒎᮃ䛃㻘㻌 㻞㻜㻝㻞 ᖺ 㻝㻝 ᭶ 㻞㻝 ᪥㻘㻌 㤳 㒔Ꮫᮾி䞉⛅ⴥཎ䝃䝔䝷䜲䝖䜻䝱䞁䝟䝇㻔ᮾி㒔༓௦⏣༊㻕㻌 㻌 ᑠ⏣❳ᶞ㻘㻌 䛂㟁Ꮚῧຍ䛥䜜䛯 㼀㼘㻛㻿㼕㻔㻝㻝㻝㻕⾲㠃䛻䛚䛡䜛ග㟁Ꮚศග䝇䝨䜽䝖䝹䜈䛾⪃ᐹ䛃㻘㻌 ᮾிᏛ≀ᛶ◊✲ᡤ ඹྠ⏝䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍ィ⟬≀㉁⛉Ꮫ◊✲䝉䞁䝍䞊㻔㻯㻯㻹㻿㻕䞉ඖ⣲ᡓ␎䝥䝻䝆䜵䜽䝖ྜྠ◊✲㻌 䛂ィ⟬ ≀ᛶ≀⌮Ꮫ䛾᪂ᒎ㛤䛃㻘㻌㻞㻜㻝㻟 ᖺ䠍᭶ 㻝㻝 ᪥㻘㻌 ᮾிᏛ≀ᛶ◊✲ᡤ䠄༓ⴥ┴᯽ᕷ䠅㻌 㻌 ᑠ⏣❳ᶞ㻘㻌 䛂┦ᑐㄽⓗᨃ䝫䝔䞁䝅䝱䝹➨୍ཎ⌮ศᏊືຊᏛἲ䛾㛤Ⓨ䛸ᛂ⏝䛃㻘㻌 ➨䠏ᅇ⏘ᴗ⛉Ꮫ◊✲ᡤඹྠ◊ ✲◊✲䠈㻞㻜㻝㻟 ᖺ 㻞 ᭶ 㻝㻜 ᪥㻘㻌 ᭷㤿 Ἠ䝯䞊䝥䝹᭷㤿䠄රᗜ┴⚄ᡞᕷ䠅㻌 㻌 ᑠ⏣❳ᶞ㻘㻌 䛂☢ᛶ䛾㟁⏺ไᚚ䛾⌧≧䛸ᑗ᮶ᒎ䛃㻘㻌 ᮾᏛ㟁Ẽ㏻ಙ◊✲ᡤሗ㏻ಙඹྠ◊✲ᣐⅬᖹᡂ䠎䠐ᖺ ᗘඹྠ䝥䝻䝆䜵䜽䝖◊✲Ⓨ⾲䛂᪂ୡ௦ 㻵㻯㼀 䛾⨶㔪┙㻌 䛃䠈㻞㻜㻝㻟 ᖺ 㻞 ᭶ 㻞㻤 ᪥㻘㻌 Ꮫ⾡⥲ྜ䝉䞁䝍䞊䠄ᮾி㒔༓௦ ⏣༊䠅㻌 㻌 ᑠ⏣❳ᶞ㻘㻌 䛂☢ᛶ䛾㟁ሙຠᯝ䛻䛴䛔䛶᭱㏆䛾◊✲䛛䜙䛃㻘㻌 䠟䠝䠩䠩䝣䜷䞊䝷䝮䛂䝁䞁䝢䝳䞊䝍䛻䜘䜛ᮦᩱ㛤Ⓨ䞉≀ ㉁タィ䜢⪃䛘䜛䛃䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻝 ᪥㻘㻌 䜰䜲䝡䞊䝩䞊䝹㻌 㻔ᮾி㒔㇂༊㻕㻌 㻌 ᑠ⏣❳ᶞ㻘㻌 䛂ᙉ☢ᛶ㉸ⷧ⭷䛻䛚䛡䜛☢Ẽ␗᪉ᛶ䛸㟁⏺ไᚚ䛃㻘㻌 㧗䜶䝛䝹䜼䞊ຍ㏿ჾ◊✲ᶵᵓ㻔㻷㻱㻷㻕㻙⟃ἼᏛ ➼㐃ᦠᨭᴗ◊✲䛂☢Ẽ␗᪉ᛶ䛾㉳※䛸ᨺᑕගᐇ㦂䛃䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻝 ᪥㻘㻌 ⟃ἼᏛ➨䠏䜶䝸䜰 㻮 Ჷ䠏㻮䠎䠍 䠏䝥䝺䝊䞁䝔䞊䝅䝵䞁䝹䞊䝮䠄Ⲉᇛ┴䛴䛟䜀ᕷ䠅㻌 㻌 ᑿᓮὈຓ㻘㻌 䛂ཎ⌮㟁Ꮚ≧ែィ⟬䝁䞊䝗㻦㻌 㻻㼜㼑㼚㻹㼄㻌 㻙ཎ⌮䛸ᐇ㝿㻙㻘㻌 ➨୍ཎ⌮ィ⟬䝁䞊䝗 㻻㼜㼑㼚㻹㼄㻘㻌 㻽㻹㻭㻿㻘㻌 㼀㻻㻹㻮㻻 䝉䝭䝘䞊㻘㻌㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻝㻠 ᪥㻘㻌 ⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ㻌 㛵す䝉䞁䝍䞊㻌 㻌 ᑿᓮὈຓ㻘㻌 䛂䝅䝭䝳䝺䞊䝅䝵䞁⛉Ꮫ㻌 㼪㻌 䛭䛾ᴫせ䛸ᮦᩱ㛤Ⓨ䛻䛚䛡䜛ྍ⬟ᛶ㻌 㼪䛃㻘㻌 ᪥⏘⮬ື㌴㻔ᰴ㻕㻌 ⥲ྜ◊✲ᡤ㻌 ㅮ₇㻘㻌㻞㻜㻝㻞 ᖺ 㻥 ᭶ 㻞㻝 ᪥㻘㻌 ⚄ዉᕝ┴ᶓ㡲㈡ᕷ㻚㻌 㻌 ᑿᓮὈຓ㻘㻌 䛂䝁䞁䝢䝳䞊䝍䛷ᣅ䛟≀㉁⛉Ꮫ䛾ᮍ᮶㻌 䛃㻘ὶ䝉䝭䝘䞊㻘㻌 㻞㻜㻝㻞 ᖺ 㻣 ᭶ 㻞㻢 ᪥㻘㻌 ▼ᕝ䝝䜲䝔䜽ὶ䝉䞁 䝍䞊㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻹㻚㻌 㻿㼍㼕㼠㼛㻘㻌 㻲㼕㼞㼟㼠㻙㻼㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌 㻯㼍㼘㼏㼡㼘㼍㼠㼕㼛㼚㼟㻌 㼛㼒㻌 㻯㼍㼞㼎㼛㼚㻌 㻺㼍㼚㼛㼙㼍㼠㼑㼞㼕㼍㼘㼟㻘㻌 㼀㼔㼑㻌 㻲㼕㼒㼠㼔㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌 㻿㼥㼙㼜㼛㼟㼕㼡㼙㻌 㼛㼚㻌 㻯㼛㼙㼜㼡㼠㼍㼠㼕㼛㼚㼍㼘㻌㻿㼏㼕㼑㼚㼏㼑㻘㻌㻝㻡㻘㻌㻹㼍㼥㻘㻌㻞㻜㻝㻞㻘㻌㼅㼛㼓㼥㼍㼗㼍㼞㼠㼍㻘㻌㻵㼚㼐㼛㼚㼑㼟㼕㼍㻚㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㼀㻚㻌 㻻㼐㼍㻘㻌 䇾㼀㼔㼑㻌 㼛㼞㼕㼓㼕㼚㻌 㼛㼒㻌 㼑㼘㼑㼏㼠㼞㼕㼏㻙㼒㼕㼑㼘㼐㻌 㼑㼒㼒㼑㼏㼠㼟㻌 㼛㼚㻌 㼙㼍㼓㼚㼑㼠㼕㼏㻌 㼍㼚㼕㼟㼛㼠㼞㼛㼜㼥㻌 㼕㼚㻌 㻲㼑㻼㼐㻌 㼡㼘㼠㼞㼍㼠㼔㼕㼚㻌 㼒㼕㼘㼙䇿㻘㻌 㼀㼔㼑㻌 㻝㻥㼠㼔㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌 㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌 㼛㼚㻌 㻹㼍㼓㼚㼑㼠㼕㼟㼙㻌 㼣㼕㼠㼔㻌 㻿㼠㼞㼛㼚㼓㼘㼥㻌 㻯㼛㼞㼞㼑㼘㼍㼠㼑㼐㻌 㻱㼘㼑㼏㼠㼞㼛㼚㻌 㻿㼥㼟㼠㼑㼙㼟㻌 㻞㻜㻝㻞㻘㻌 㻥㼠㼔㻌 㻶㼡㼘㼥㻌 㻞㻜㻝㻞㻘㻌 32 添付資料 4 㻮㼑㼤㼏㼛㻔㻮㼡㼟㼍㼚㻘㻌㻷㼛㼞㼑㼍㻕㻌 㻌 㼀㼍㼠㼟㼡㼗㼕㻌㻻㼐㼍㻘㻌䇾㻱㼘㼑㼏㼠㼞㼕㼏㻙㼒㼕㼑㼘㼐㻌㼑㼒㼒㼑㼏㼠㼟㻌㼛㼚㻌㼙㼍㼓㼚㼑㼠㼕㼏㻌㼍㼚㼕㼟㼛㼠㼞㼛㼜㼥㻌㼕㼚㻌㻲㼑㻼㼐㻌㼍㼚㼐㻌㻲㼑㻼㼠㻌㼡㼘㼠㼞㼍㼠㼔㼕㼚㻌 㼒㼕㼘㼙㼟䇿㻘㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌 㻿㼥㼙㼜㼛㼟㼕㼡㼙㻌㼛㼚㻌㻯㼛㼙㼜㼡㼠㼕㼏㼟㻦㻌㻽㼡㼍㼚㼠㼡㼙㻌㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌㼍㼚㼐㻌㻰㼑㼟㼕㼓㼚㻘㻌㻝㻞㼠㼔㻌㻻㼏㼠㼛㼎㼑㼞㻌㻞㻜㻝㻞㻘㻌㻻㼟㼍㼗㼍㻌㼁㼚㼕㼢㼑㼞㼟㼕㼠㼥㻌㻴㼍㼘㼘㻌㻔㻻㼟㼍㼗㼍㻘㻌 㼀㼛㼥㼛㼚㼍㼗㼍㻕㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 33 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨ 㻞 㒊㻌 ㄢ㢟ྡ䠖㻌 ᪂ᮦᩱ᥈⣴㻌 ㄢ㢟௦⾲⪅䠖㻌 ᖖ⾜┿ྖ㻌 ᡤᒓ䠖㻌 ᮾிᏛ㻌 㻌 㼇ㄽᩥ㼉㻌 Y. 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Lett. 97, 56003, (2012). 㻌 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 ୕Ꮿ 㝯䚸▼ᶫ ❶ྖ䚸ᡭሯ ᫂๎䠈᪂つ☢ᛶᮦᩱ㛤Ⓨ䜈ྥ䛡䛯➨୍ཎ⌮㟁Ꮚ≧ែィ⟬䝥䝻䜾䝷䝮 QMAS䠈⏘ ⥲◊ TODAY 13䠈3 (2013). ᓲ㻌 㝯ᇶ䚸ᅵ⏣㻌 ⱥ䚸㇂㻌 ᐇ䠈䇿⇞ᩱ㟁ụ⏝㧗ศᏊᮦᩱ䛾䝅䝭䝳䝺䞊䝅䝵䞁䇿䠈⏘⥲◊ 㼀㼛㼐㼍㼥䠈⏘ᴗᢏ⾡⥲ྜ ◊✲ᡤ䚸㻞㻜㻝㻟㻛㻜㻞㻛㻜㻠㻌 㻌 㼀㻚㻌 㻻㼔㼗㼡㼎㼛㻘㻌 㻱㻚㻌 㼀㼟㼡㼏㼔㼕㼐㼍㻔㻭㻵㻿㼀㻕㻘㻌 㻹㻚㻌 㻳㼛㼎㼑㼠㻔㻯㻺㻾㻿㻕㻘㻌 㻯㻚㻌 㻮㼑㼟㼟㼍㼐㼍㻔㻯㻺㻾㻿㻕㻌 㼍㼚㼐㻌 㼅㻚㻌 㻵㼣㼍㼐㼍㼠㼑㻘㻌 㻌 㻎㻲㼕㼞㼟㼠㻙㼜㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌 㼙㼛㼘㼑㼏㼡㼘㼍㼞㻌 㼐㼥㼚㼍㼙㼕㼏㼟㻌 㼟㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌 㼍㼚㼐㻌 㼏㼛㼚㼐㼡㼏㼠㼕㼢㼕㼠㼥㻌 㼙㼑㼍㼟㼡㼞㼑㼙㼑㼚㼠㻌 㼛㼒㻌 㼙㼛㼘㼠㼑㼚㻌 㼤㻸㼕㻞㻻䇵㻔㻝㻙㼤㻕㻮㻞㻻㻟㻌 㼟㼥㼟㼠㼑㼙㻎㻘㻌 㻼㼞㼛㼏㼑㼑㼐㼕㼚㼓㼟㻌㼛㼒㻌㻠㼠㼔㻌㻭㼟㼕㼍㼚㻌㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻹㼛㼘㼠㼑㼚㻌㻿㼍㼘㼠㻌㻯㼔㼑㼙㼕㼟㼠㼞㼥㻌㼍㼚㼐㻌㼀㼑㼏㼔㼚㼛㼘㼛㼓㼥㻘㻌㻞㻜㻤㻙㻞㻝㻡㻌㻔㻞㻜㻝㻞㻕㻚㻌 㻌 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 ᖖ⾜┿ྖ㻘㻌 䛂㻯㻹㻿㻵䛂㻌 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䛃䛸䛿䛃㻘㻌 ➨ 㻢 ᅇᨺᑕග㐃ᦠ◊✲䝽䞊䜽䝅䝵䝑䝥㻘㻌 㻞㻜㻝㻟 ᖺ 㻞 ᭶ 㻝㻠 ᪥㻘㻌 ᮾிᏛ㻚㻌 㻌 ᖖ⾜┿ྖ㻘㻌 䛂ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤㻔㻯㻹㻿㻵㻕䛾ᴫせ䛸ᮦᩱ◊✲䜈䛾ྲྀ䜚⤌䜏䛃㻘㻌 ᮦᩱᡓ␎ጤဨ㻌 ศ㔝⼥ ྜ◊✲㻘㻌㻞㻜㻝㻟 ᖺ 㻝 ᭶ 㻞㻥 ᪥㻘㻌 ᮾி㻚㻌 㻌 ▼ᶫ❶ྖ, "QMAS ࡢᴫせ", ➨୍ཎ⌮ィ⟬ࢥ࣮ࢻ OpenMX, QMAS, TOMBO ࢭ࣑ࢼ࣮, 㜰ᗓụ⏣ᕷ, 2013/03/14. ▼ᶫ❶ྖ, "QMAS ᭱ᒁᅾ Wannier ㌶㐨㛵ಀࢆ୰ᚰࡋ࡚", ➨୍ཎ⌮ィ⟬ࢥ࣮ࢻ OpenMX, QMAS, TOMBO ࢭ࣑ࢼ࣮㸪㜰ᗓụ⏣ᕷࠊ2013/03/15. 㻌 ྜྷᮏⰾⱥ ࠕィ⟬≀ᛶ⛉Ꮫࡢᑗ᮶ീ㸸ḟୡ௦ HPC ࡢ᳨ウ㛵㐃ࡋ࡚ࠖ(᪥ᮏ≀⌮Ꮫ ➨ 68 ᅇᖺḟ ࢩ ࣏ࣥࢪ࣒࢘ ࠕ࢚ࢡࢧࢫࢣ࣮ࣝྥࡅ࡚Ṍࡳฟࡍィ⟬≀⌮Ꮫࠖ, ᗈᓥᏛ) 35 添付資料 4 ྜྷᮏⰾⱥ ࠕ⇕ຊᏛ㔞┦㌿⛣㸦ᣑᙇࣥࢧࣥࣈࣝἲ⇕ຊᏛⓗ downfolding㸧 ࠖ(2013. 3. 13 ィ⟬ᮦᩱ ⛉ᏛᩘᏛࡢ༠ാࡼࡿࢫ࣐࣮ࢺᮦᩱࢹࢨࣥᡭἲࡢ᥈⣴ ―㝵ᒙᵓ㐀ࢆゎᯒࡍࡿ―, ᮾᏛཎᏊศ Ꮚᮦᩱ⛉Ꮫ㧗➼◊✲ᶵᵓ) ྜྷᮏⰾⱥ ࠕィ⟬≀ᛶ≀⌮ࡢⓎᒎࡢࡓࡵࡢࢥࣥࣆ࣮ࣗࢱά⏝ࡢ⪃࠼᪉ࠖ(2013. 1. 11 ≀ᛶ◊ඹྠ⏝࣭ CCMS࣭ඖ⣲ᡓ␎ྜྠ◊✲ࠕィ⟬≀ᛶ≀⌮Ꮫࡢ᪂ᒎ㛤ࠖ, ≀ᛶ◊✲ᡤ) ྜྷᮏⰾⱥ ࠕGPU ࢆά⏝ࡋࡓ hybrid ᆺ┦㛵ỗ㛵ᩘࡢᖹ㠃Ἴᇶᗏ➨୍ཎ⌮ィ⟬ࣉࣟࢢ࣒ࣛࡢᐇ ỈศᏊ⣔ࡢᛂ⏝ࠖ (2012. 10. 9 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ ➨ 3 ᅇ◊✲, ศᏊ⛉Ꮫ◊✲ᡤ) ྜྷᮏⰾⱥ ࠕ➨୍ཎ⌮㟁Ꮚ≧ែィ⟬࣐ࣝࢳ࢝ࣀࢽ࢝ࣝศᏊືຊᏛἲࡼࡿ≀ᛶࢩ࣑࣮ࣗࣞࢩࣙࣥ㻌 㻔㻞㻜㻝㻞㻚㻌 㻡㻚㻌㻝㻝㻌㻯㻭㻹㻹 䝣䜷䞊䝷䝮㻌 㼇䝁䞁䝢䝳䞊䝍䛻䜘䜛ᮦᩱ㛤Ⓨ䞉≀㉁タィ䜢⪃䛘䜛㼉㻘㻌 ᮾி䞉⾲ཧ㐨䛂䜰䜲䝡䞊䝩䞊䝹䛃㻕㻌 㻌 ๓ᅬᾴࠊከᡂศ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࢆ⏝࠸ࡓ㟁ᏊṇᏍ⣔ࡢ◊✲ࠊ➨ ᅇ⏘ᴗ⛉Ꮫ◊✲ᡤඹྠ◊✲◊✲ࠊ ࠊ᭷㤿 Ἠ࣓࣮ࣉࣝ᭷㤿㸦⚄ᡞ㸧 㻌 ๓ᅬᾴࠊከᡂศ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࢆ⏝࠸ࡓ㟁ᏊṇᏍ⣔ࡢ◊✲ࠊ⛉◊㈝᪂Ꮫ⾡㡿ᇦ◊✲ࠕືⓗ┦㛵ග⛉Ꮫࠖ ᭱⤊ࢩ࣏ࣥࢪ࣒࢘ࠊࠊᮾிᏛὸ㔝࢟ࣕࣥࣃࢫ㸦ᮾி㸧 㻌 ๓ᅬᾴࠊ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࡼࡿ㟁Ꮚ≧ែィ⟬ࠊ㹈㸿㹇㹑㹒ࢩ࣏ࣥࢪ࣒࢘㸰㸮㸯㸰ࠊࠊᐩኈࢯ ࣇࢺ࢟ࣂࣉࣛࢨ㸦ᮾி㸧 ๓ᅬᾴࠊ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲ㟁Ꮚ≧ែィ⟬ࡼࡿィ⟬⛉Ꮫࠊ➨ ᅇ㔠ἑ-$,67ィ⟬≀㉁⛉Ꮫ◊✲ࠊ ࠊ㔠ἑᏛ㸦▼ᕝ㸧 ๓ᅬᾴࠊ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲࢆ⏝࠸ࡓ㟁Ꮚ≧ែィ⟬ࠊ+3&,ᡓ␎ࣉࣟࢢ࣒ࣛศ㔝㸰ศ㔝㸳␗ศ㔝ὶ◊✲ ࠊࠊᮾிᏛ≀ᛶ◊✲ᡤ㸦༓ⴥ㸧 㻌 ๓ᅬᾴࠊ㔞Ꮚࣔࣥࢸ࢝ࣝࣟἲ㟁Ꮚ≧ែィ⟬ࢥ࣮ࢻࠕ&$6,12ࠖࠊ➨㸯ᅇ&06,ࠕிࠖ⏝ሗࠊࠊ ⌮Ꮫ◊✲ᡤィ⟬⛉Ꮫ◊✲ᶵᵓ$,&6㸦රᗜ㸧 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 S. Tsuneyuki, 'Atomistic Modeling of Materials Based on First-Principles Calculation', the Seventh General Meeting of ACCMS-VO, Nov. 23-25, 2012, Sendai, Japan. S. Tsuneyuki, 'Transcorrelated method: a feasible and self-consistent wave function theory for solids', Asian Workshop on First-Principles Electronic Structure Calculations (Asian-15), Nov. 5-7, 2012, Taipei. 㻌 Isao TANAKA, Exploring structures and phase relationships of ceramics at finite temperatures from first principles, Korean Institute of Metals and Materials/Japan Institute of Metals Joint Symposium on Computational Materials Science, 25 Oct 2012, Changwon, Korea Isao TANAKA, Structure and Dynamics of Oxide Crystals at High Temperatures by First Principles Calculations, MS&T2012. 10 Oct 2012, Pittsburgh, USA Isao TANAKA, First principles study of anion ordering in oxynitrides. 6th International Workshop on 36 添付資料 4 Spinel-Nitrides and Related Materials, 10 Sept 2012, Ruedesheim am Main, Germany 㻌 S. Ishibashi, H. Ohnishi, H. Shinaoka, T. Kosugi, T. Miyake and K. Terakura, "Electronic structure calculation with two-component relativistic formalism", IUMRS-International Conference on Electronic Materials (IUMRS-ICEM2012), Yokohama, 2012/09/26. 㻌 Ryo MAEZONO, Non-additivity in metallic tri-wire binding, International Symposium of Computational Science 2013, 2013/2/18,㔠ἑᏛ(▼ᕝ) Alston Misquitta, Ryo Maezono, Neil Drummond, Richard Needs, Anomalous Three-body dispersion and other curiosities, Towards First-Principles Description of van der Waals Interactions in Complex Materials, 2012/10/17, CECAM-HQ-EPFL (Lausanne, Switzerland) Ryo MAEZONO, Non-additivity in metallic tri-wire binding, International Symposium on Computics: Quantum Simulation and Design (ISC-QSD), 2012/10/11, Osaka University (Osaka) Ryo MAEZONO, GPGPU acceleration of CASINO blip routine, Quantum Monte Carlo in the Apuan Alps VII, 2012/8/2, The Towler Institute(Vallico Sotto, Tuscany, Italy) Ryo MAEZONO, Electronic Structure Calculations using Quantum Monte Carlo method, 2nd African School on 'Electronic Structure Methods and Applications' (ASESMA 2012), 2012/6/5, Chepkoilel University College, Department of Physics (Eldoret, Kenya) 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㝣୰᪥᪂⪺࣭ᮅหࠕ㧗ᰯ⏕ࡀࢫࣃࢥࣥసࡾ࣭㝣ඛ➃࡛ࠕࢧ࢚ࣥࢫ࢟ࣕࣥࣉࠖࠖ ᅧ᪂⪺࣭ᮅหࠕඛ➃࡛㧗ᰯ⏕ࡀࣃࢯࢥࣥ⤌ࡳ❧࡚ࢧ࣐࣮࢟ࣕࣥࣉࠖ 㻌 䠷ⴭస≀䠹㻌 ᖹ㠃Ἴᇶᗏ➨୍ཎ⌮ィ⟬䝋䝣䝖䜴䜶䜰㻌 㼤㼀㻭㻼㻼㻌 ྜྷᮏⰾⱥ䚸ྜྷ⃝㤶ዉᏊ䚸ᒣෆ῟䚸ㄶゼ㞝䚸㼀㻭㻼㻼 䝁䞁䝋䞊䝅 䜰䝮㻌㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 37 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖➨ 㻟 㒊㻌 ㄢ㢟ྡ䠖ཎᏊ䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛䜴䜱䝹䝇䛾ศᏊ⛉Ꮫ䛾ᒎ㛤㻌 ㄢ㢟௦⾲⪅䠖ᒸᓮ㻌 㐍㻌 ᡤᒓ䠖ྡྂᒇᏛ㻌 㻌 㼇ㄽᩥ㼉㻌 1. 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Fedorov, K.Kitaura, Analytic gradient for the embedding potential with approximations in 38 添付資料 4 the fragment molecul;ar orbital method, Chem. Pys. Lett. 544, 87-93, 2012 13. Naoya Asada, Dmitri G. Fedorov, Kazuo Kitaura, Isao Nakanishi, Kenneth M. Merz, Jr., An efficient method to evaluate intermolecular interaction energies in large systems using overlapping multicenter ONIOM and the fragment molecular orbital method, J. Phys. Chem. Lett.,3, 2604-2610, 2012 14. T. Nagata, D. G. Fedorov, T. Sawada, K. Kitaura, Analysis of solute-solvent interactions in the fragment molecular orbital method interfaced with the effective fragment potentials: Theory and application to solvated griffithsin-carbohydrate complex, J. Chem. Pys. A, 116, 9088-9099, 2012 15. H. Nakata, D.G. Fedorov, T. Nagata, S. Yokojima, K.Ogata, K.Kitaura, S.Nakamura, Unrestricted Hartree-Fock based on the fragment molecular orbital method: Energy and its analytical gradient, J. Chem,. Phys. 137, 044110, 2012 16. T. Nagata, D.G. Fedorov, H. Li, K. Kitaura, Analytic gradient for second order Moller-Plesset perturbation theory with the polarizable continuum model based on the fragment molecular orbital method, J. Chem. Phys. 136, 204112, 2012 17. Y. Alexeev, A. Mahajan, S. Leyffer, G. Fletcher, D. G. Fedorov, Heuristic static load-balancing algorithm applied to the fragment molecular orbital method. Proc. Supercomputing 2012, IEEE Computer Society, Salt Lake City, 2012 18. S. R. Pruitt, D. G. Fedorov, M. S. Gordon, Geometry optimizations of open-shell systems with the fragment molecular orbital method. J. Phys. Chem. A 116 (2012) 4965-4974. 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 1. ᒸᓮ㻌 㐍䚸䜴䜲䝹䝇䛾ཎᏊ䝅䝭䝳䝺䞊䝅䝵䞁䛻ྥ䛡䛶䚸ィ⟬ᕤᏛ 17, 2845-2848(2012) 2. Dmitri G. Fedorov, TakeshiNagata, Kazuo Kitaura, Exploring chemistry with the fragment molecular orbital theory, Phys. Chem. Chem. Phys., 14, 7562-7577 (2012). 3. Y. Alexeev, M. P. Mazanetz, O. Ichihara, D. G. Fedorov, GAMESS As a Free Quantum-Mechanical Platform for Drug Research. Curr. Top. Med. Chem. 12 (2012) 2013-2033. 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 1. ᑿᙲᮁ䚸䛂Ỉ䛸䝍䞁䝟䜽㉁䛾ᵓ㐀ᦂ䜙䛞䛾⌮ㄽゎᯒ䛃䚸᪂Ꮫ⾡ྜྠ㝿䝅䞁䝫䝆䜴䝮䛂䜖䜙䛞䛸Ỉ―⏕ 䛾䜶䝛䝹䜼䞊䛸ᶵ⬟䛾ศᏊᶵᵓ䜢᥈䜛䛃䚸2012 ᖺ 9 ᭶䚸㜰 2. ᾆኵ䚸䛂䝍䞁䝟䜽㉁䛾㔞ᏊᏛィ⟬䛃䚸➨ 6 ᅇศᏊ⛉Ꮫウㄽ䚸2012 ᖺ 9 ᭶䚸ᮾி 3. ᑿᙲᮁ䚸䛂Structure modeling of the stator in bacterial flagellar motor and implication for selective permeation mechanism of proton䛃䚸䠦䠯䠬䠯ᅜ㛫ὶᴗ ➨ᅄᅇ᪥䝉䝭䝘䞊䛄⣽⬊ෆ䛾㛫䞉✵㛫㝵ᒙ ᵓ㐀䛾䜲䝯䞊䝆䞁䜾䠉ศᏊ䛛䜙⣽⬊䛻⮳䜛䝎䜲䝘䝭䜽䝇ಠ▔䠉䛅䚸2013ᖺ1᭶䚸රᗜ 4. ᒸᓮ㻌 㐍䚸䛂㧗୪ิỗ⏝ศᏊືຊᏛ䝅䝭䝳䝺䞊䝅䝵䞁䝋䝣䝖 modylas 䛾㛤Ⓨ䠉䜴䜲䝹䝇䛾ཎᏊ䝅䝭䝳䝺䞊䝅 䝵䞁䜈ྥ䛡䛶䛃䚸12-1 㧗ศᏊィ⟬ᶵ⛉Ꮫ◊✲䚸2013 ᖺ 3 ᭶䚸ᮾி 5. ᾆኵ䚸䛂䝍䞁䝟䜽㉁䛾䝸䜺䞁䝗⤖ྜ䛻䛚䛡䜛≉ᚩⓗ㠀⤖ྜ┦స⏝䛃䚸᪥ᮏ≀⌮Ꮫ➨ 68 ᅇᖺḟ㻌 䚸2013 ᖺ 3 ᭶䚸ᗈᓥ 6. ᾆኵ䚸䛂つᶍศᏊ⣔ࡢ㔞ᏊᏛィ⟬ࠖ ࠊ➨ 22 ᅇ CMD ࣮࣡ࢡࢩࣙࢵࣉࠊ2013 ᖺ 3 ᭶ࠊ⚄ᡞ 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 1. Kazuo Kitaura, "Calculations of Binding Free Energy Between Protein and Ligand Using the Fragment Molecular Orbital Method", MSCRS2012, May, 2012, Nagoya 39 添付資料 4 2. S. Okazaki, "A Molecular Dynamics Study of Real Cell Plasma Membrane", 1st International Conference on Emerging Advanced Nanomaterials(ICEAN 2012), October, 2012, Brisbane 3. S. Okazaki, "Real Cell Plasma Membranes and Virus Capsid", Satellite Workshop of the SCJ䇳JST International Symposium Inernational Workshop on Recent Advances in Computational and Theoretical Chemistry, November, 2012, Nagoya 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 1. 䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍ி䛜㛤䛟ᮍ᮶ճ/2012 ᖺ 9 ᭶ 28 ᪥䚸⚄ᡞ᪂⪺ 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 1. すཎὈᏕ䚸ᑿᙲᮁ䚸䛂⣽⳦䜉䜣ẟ䝰䞊䝍䞊ᅛᐃᏊ」ྜయMotA/B䝏䝱䝛䝹䛾㑅ᢥⓗ㏱㐣䝯䜹䝙䝈䝮䛃䚸➨ 12ᅇᮾிᏛ⏕⛉Ꮫ䝅䞁䝫䝆䜴䝮䠄䝫䝇䝍䞊㈹䠅䚸2012ᖺ6᭶30᪥䚸ᮾி 2. ᒣᏲඃ䚸䛂MUSTERMD: Temperature Accelerated MD 䛸 Replica ἲ䜢⏝䛔䛯 MultiScale 䝃䞁䝥䝸䞁䜾ᡭ ἲ䛾㛤Ⓨ䛃䚸➨ 26 ᅇศᏊ䝅䝭䝳䝺䞊䝅䝵䞁ウㄽᏛ⏕ඃ⚽Ⓨ⾲㈹䚸2012 ᖺ 11 ᭶ 26䠉28 ᪥䚸⚟ᒸ 3. ᒣෆ 㝯⩏䠄ྡ㝔ᕤ M2䠅䚸ᒣ⏣ ⠜ᚿ䚸ᒸᓮ 㐍䠄ྡ㝔ᕤ䠅䚸ᡞ 㐩ᙪ䚸ᒣୗ ୍䠄ᮾ㝔ᕤ䠅䚸Ώ㑔 ୍ஓ䚸ᯇᮏ ྜྷὈ䠄ி㝔⌮䠅䚸䛂ᙳ㡪ỗ㛵ᩘ⌮ㄽ䜢⏝䛔䛯㖡ᇶᯈ⾲㠃ୖ䛻྾╔䛥䜜䛯䝉䝅䜴䝮ཎᏊ䛾䝣䜷 䝜䞁䝰䞊䝗䛾ື⦆䛾◊✲䛃䚸➨ 26 ᅇศᏊ䝅䝭䝳䝺䞊䝅䝵䞁ウㄽᏛ⏕ඃ⚽Ⓨ⾲㈹䚸2012 ᖺ 11 ᭶ 26䠉 28 ᪥䚸⚟ᒸ 40 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨䠏㒊㻌 ㄢ㢟ྡ䠖㻌 ᣑᙇ䜰䞁䝃䞁䝤䝹ἲ䛻䜘䜛⏕యศᏊᵓ㐀䞉ᶵ⬟䛾ゎ᫂㻌 ㄢ㢟௦⾲⪅䠖㻌 ᒸᮏ♸ᖾ㻌 ᡤᒓ䠖㻌 ྡྂᒇᏛ㻌 Ꮫ㝔⌮Ꮫ◊✲⛉㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 [1] T. Nagai and Y. Okamoto, “Simulated tempering and magnetizing: an application of two-dimensional simulated tempering to two-dimensional Ising model and its crossover,” Physical Review E 86, 056705 (12 pages) (2012). [2] T. Nagai and Y. Okamoto, “Replica-exchange molecular dynamics simulation of a lipid bilayer system with a coarse-grained model,” Molecular Simulation 38, 437-441 (2012). [3] Y. Mori and Y. Okamoto, “Generalized-ensemble algorithms for studying temperature and pressure dependence of complex systems,” Molecular Simulation 38, 452-457 (2012). [4] B.A. Berg, C. Muguruma, and Y. Okamoto, “Residual entropy of ordinary ice calculated from multicanonical Monte Carlo simulations,” Molecular Simulation 38, 856-860 (2012). [5] Y. Mori and Y. Okamoto, “Generalized isobaric-isothermal ensemble algorithms,” in From Computational Biophysics to Systems Biology (CBSB11) – Celebrating Harold Scheraga’s 90th Birthday, P. Carloni, U.H.E. Hansmann, T. Lippert, J.H. Meinke, S. Mohanty, W. Nadler, and O. Zimmermann (eds.) (John von Neumann Institute for Computing, Juelich, 2012) pp. 139-144. [6] T. Nagai and Y. Okamoto, “Simulated tempering and magnetizing simulations of the Ising model,” Physics Procedia 34, 100-104 (2012). [7] Y. Sakae and Y. Okamoto, “Improvement of the backbone-torsion-energy term in the force field for protein systems by the double Fourier series expansion,” Molecular Simulation 39, 85-93 (2013). [8] Y. Mori and Y. Okamoto, “Free energy calculations of a proton transfer reaction by simulated-tempering umbrella sampling first principles molecular dynamics simulations,” Physical Review E 87, 023301 (4 pages) (2013). [9] Y. Sakae and Y. Okamoto, “Amino-acid-dependent main-chain torsion-energy terms for protein systems,” Journal of Chemical Physics 138, 064103 (8 pages) (2013). [10] T. Nagai, Y. Okamoto, and W. Janke, “Application of simulated tempering and magnetizing to a twodimensional Potts model,” Journal of Statistical Mechanics: Theory and Experiment 2013, P02039 (2013). [11] P.H. Nguyen, Y. Okamoto, and P. Derreumaux, “Simulated tempering with fast on-the-fly weight determination,” Journal of Chemical Physics 138, 061102 (4 pages) (2013). 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 [1] Y. Okamoto, “Generalized-ensemble algorithms for protein folding and unfolding,” Current Physical Chemistry 2, 92-106 (2012). [2] A. Mitsutake, Y. Mori, and Y. Okamoto, “Enhanced sampling algorithms,” in Biomolecular Simulations: Methods and Protocols, L. Monticelli and E. Salonen (eds.) (Humana Press, New York, 2012) pp. 153-195. [3] H. Okumura, S.G. Itoh, and Y. Okamoto, “Generalized-ensemble algorithms for simulations of complex molecular systems,” in Practical Aspects of Computational Chemistry II: An Overview of the Last Two 41 添付資料 4 Decades and Current Trends, J. Leszczynski and M.K. Shukla (eds.) (Springer, Dordrecht, 2012) pp. 69-101. [4] ᴿ䠈౫⏣㝯ኵ䠈ᮡ⏣᭷䠈ᒸᮏ♸ᖾ䠈䛂䝍䞁䝟䜽㉁⣔ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䛾䛯䜑䛾ຊሙ㛵ᩘ䛃䠈 㻌 㻌 ᪥ᮏ≀⌮Ꮫㄅ 67 ᕳ, 343-349 (2012). [5] Y. Okamoto, “Molecular simulations in generalized ensemble,” Molecular Simulation 38, 1282-1296 (2012). [6] Y. Sugita, N. Miyashita, P.-C. Li, T. Yoda, and Y. Okamoto, “Recent applications of replica-exchange molecular dynamics simulations of biomolecules,” Current Physical Chemistry 2, 401-412 (2012). 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 [1] ᒸᮏ♸ᖾ䠈䛂Study on protein force fields, folding, and unfolding by generalized-ensemble algorithms䛃, 㻌 㻌 ➨ 12 ᅇ᪥ᮏ⺮ⓑ㉁⛉Ꮫᖺ䠈2012 ᖺ 6 ᭶䠈ྡྂᒇᕷ䠊 [2] ᒸᮏ♸ᖾ䠈䛂䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍䞊䛷䝍䞁䝟䜽㉁䛾ᙧ䛸ാ䛝䜢᥈䜛䛃䠈᪥ᮏ⏕≀≀⌮Ꮫ㻌 බ㛤ㅮᗙ䠈 㻌 㻌 2012 ᖺ 9 ᭶䠈ྡྂᒇᕷ䠊 [3] ᒸᮏ♸ᖾ䠈䛂ᣑᙇ䜰䞁䝃䞁䝤䝹䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛䝞䜲䜸༢ศᏊ◊✲䛃, 2012 ᖺᗘ➨䠍ᅇ䝞䜲䜸༢ศᏊ 㻌 㻌 ◊✲䠈2012 ᖺ 10 ᭶䠈ᐑᇛ┴ᓮᕷ䠊 [4] ᒸᮏ♸ᖾ䠈䛂䝇䝢䞁⣔䛚䜘䜃ศᏊ⣔䛾ᣑᙇ䜰䞁䝃䞁䝤䝹䝅䝭䝳䝺䞊䝅䝵䞁䛃䠈≀ᛶ◊ඹྠ⏝䞉䠟䠟䠩䠯䞉 㻌 㻌 ඖ⣲ᡓ␎ྜྠ◊✲䛂ィ⟬≀ᛶ≀⌮Ꮫ䛾᪂ᒎ㛤䛃䠈2013 ᖺ 1 ᭶䠈᯽ᕷ䠊 [5] ᒸᮏ♸ᖾ䠈䛂Generalized-ensemble algorithms for biomolecular simulations䛃䠈⌮◊ィ⟬⛉Ꮫ◊✲ᶵᵓ 㻌 㻌 ➨䠐ᅇඹ㏻ᇶ┙◊✲䛻ಀ䜛䝽䞊䜽䝅䝵䝑䝥䠈2013 ᖺ 3 ᭶䠈⚄ᡞᕷ䠊 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 [1] Y. Okamoto, “Computational biophysics by generalized-ensemble algorithms,” The 17th Biophysics Conference, May, 2012䠈Taipei, Taiwan. [2] Y. Okamoto, “Molecular simulations in generalized ensemble,” Professor N. Quirke 60th Birthday Symposium, July, 2012, London, England. [3] Y. Okamoto, “Generalized-ensemble simulations in materials and biological sciences,” [Plenary Talk] The 5th Japan-Russia International Workshop on Molecular Simulation Studies in Material and Biological Sciences (MSSMBS’12), September, 2012, Dubna-Moscow, Russia. [4] Y. Okamoto, “Generalized-ensemble algorithms for simulations of bionanomaterials,” The 1st International Conference on Emerging Advanced Nanomaterials (ICEAN 2012), October, 2012, Brisbane, Australia. [5] Y. Okamoto, “Generalized-ensemble algorithms for classical and quantum simulations,” International Workshop on Recent Advances in Computational and Theoretical Chemistry, November, 2012, Nagoya, Japan. [6] Y. Okamoto, “Structural fluctuations of proteins in folding , unfolding , and ligand docking studied by generalized-ensemble simulations,” The 6th International Symposium on Molecular Sicence of Fluctuations toward Biological Functions, December, 2012, Kyoto, Japan. [7] Y. Okamoto, “Replica-exchange, simulated tempering, and multicanonical algorithms for simulations of complex systems,” The 5th Korea-Japan Seminars on Biomolecular Sciences - Experiments and Simulations, February, 2013, High 1 Resort, Korea. [8] Y. Okamoto, “Multidimensional generalized-ensemble simulations of biological systems,” International Symposium on Protein Folding and Its Biological Significance, March, 2013, Okazaki, Japan. 㻌 42 添付資料 4 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 43 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 㻌 ➨ 㻟 㒊㻦㻌 ศᏊᶵ⬟䛸≀㉁ኚ㻌 ㄢ㢟ྡ䠖㻌 㻌 䝫䝸䝰䝹䝣䛛䜙⏕㉳䛩䜛ศᏊ㞟ᅋᶵ⬟㻌 ㄢ㢟௦⾲⪅䠖㻌 㻌 ᯇᯘ㻌 ఙᖾ㻌 ᡤᒓ䠖㻌 㻌 ி㒔Ꮫ㻌 Ꮫ◊✲ᡤ㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 1 Y. Yasaka, M. L. Klein, M. Nakahara, and N. Matubayasi, Rotational dynamics of benzene and water in an ionic liquid explored via molecular dynamics simulations and NMR T1 measurements, J. Chem. Phys., 136, 074508 (12 pages) (2012). 2 P.-L. Chau, K. M. Tu, K. K. Liang, I. T. Todorov, S. J. Roser, R. Barker, and N. Matubayasi, The effect of pressure on halothane binding to hydrated DMPC bilayers, Mol. Phys., 110, 1461–1467 (2012). 3 M. Takeuchi, N. Matubayasi, Y. Kameda, B. Minofar, S. Ishiguro, and Y. Umebayashi, Free-Energy and Structural Analysis of Ion Solvation and Contact Ion-Pair Formation of Li+ with BF4− and PF6− in Water and Carbonate Solvents, J. Phys. Chem. B 116, 6476−6487 (2012). 4 H. Takahashi, A. Omi, A. Morita, and N. Matubayasi, Simple and exact approach to the electronic polarization effect on the solvation free energy: Formulation for quantum-mechanical/molecular-mechanical system and its applications to aqueous solutions, J. Chem. Phys., 136, 214503 (12 pages) (2012). 5 K. M. Tu, N. Matubayasi, K. K. Liang, I. T. Todorov, S. L. Chan, and P.-L. Chau, A possible molecular mechanism for the pressure reversal of general anaesthetics: aggregation of halothane in POPC bilayers at high pressure, Chem. Phys. Lett., 543, 148–154 (2012). 6 M. Shintani, Y. Matsuo, S. Sakuraba, and N. Matubayasi, Interaction of naphthalene derivatives with lipid in membrane studied by 1H-nuclear Overhauser effect and molecular dynamics simulation, Phys. Chem. Chem. Phys., 14, 14049–14060 (2012). 7 T. Yoshidome, Y. Ito, N. Matubayasi, M. Ikeguchi, and M. Kinoshita, Structural characteristics of yeast F1-ATPase before and after 16-degree rotation of the Jsubunit: Theoretical analysis focused on the water-entropy effect, J. Chem. Phys., 137, 035102 (8 pages) (2012). 8 H. Kimura, M. Nakahara, and N. Matubayasi, Noncatalytic Hydrothermal Elimination of the Terminal D-Glucose Unit from Malto- and Cello-Oligosaccharides through Transformation to D-Fructose, J. Phys. Chem. A 116, 10039–10049 (2012). 9 H. Kimura, Y. Yasaka, M. Nakahara, and N. Matubayasi, Nuclear magnetic resonance study on rotational dynamics of water and benzene in a series of ionic liquids: Anion and cation effects, J. Chem. Phys., 137, 194503 (10 pages) (2012). 10 K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara, Density effect on infrared spectrum for supercritical water in the low- and medium-density region studied by molecular dynamics simulation, J. Chem. Phys., 137, 194506 (10 pages) (2012). 11 K. Takemura, H. Guo, S. Sakuraba, N. Matubayasi, and A. Kitao, Evaluation of protein-protein docking model structures using all-atom molecular dynamics simulations combined with the solution theory in the energy representation, J. Chem. Phys., 137, 215105 (10 pages) (2012). 12 Y. Kubota, A. Yoshimori, N. Matubayasi, M. Suzuki, and R. Akiyama, Molecular dynamics study of fast dielectric relaxation of water around a molecular-sized ion, J. Chem. Phys., 137, 224502 (4 pages) (2012). 44 添付資料 4 13 T. Kawakami, I. Shigemoto, and N. Matubayasi, Free-energy analysis of water affinity in polymer studied by atomistic molecular simulation combined with the theory of solutions in the energy representation, J. Chem. Phys., 137, 234903 (9 pages) (2012). 14 Y. Kameda, H. Deguchi, Y. Kubota, H. Furukawa, Y. Yagi, Y. Imai, M. Tatsumi, N. Yamazaki, N. Watari, T. Hirata, N. Matubayasi, High-Energy X-ray Diffraction Study on the Intramolecular Structure of 2-Aminoethanol in the Liquid State, Bull. Chem. Soc. Japan 86, 99–103 (2013). 15 K. Takemura, R. R. Burri, T. Ishikawa, T. Ishikura, S. Sakuraba, N. Matubayasi, K. Kuwata, and A. Kitao, Free-energy analysis of lysozyme–triNAG binding modes with all-atom molecular dynamics simulation combined with the solution theory in the energy representation, Chem. Phys. Lett., 559, 94–98 (2013). 16 T. Ishikawa, R. R. Burri, Y. O. Kamatari, S. Sakuraba, N. Matubayasi, A. Kitao, and K. Kuwata, A theoretical study of the two binding modes between lysozyme and tri-NAG with an explicit solvent model based on the fragment molecular orbital method, Phys. Chem. Chem. Phys., 15, 3646–3654 (2013). 17 Y. Karino and N. Matubayasi, Interaction-component analysis of the urea effect on amino acid analogs, Phys. Chem. Chem. Phys., 15, 4377–4391 (2013). 18 H. Kimura, M. Nakahara, and N. Matubayasi, Solvent Effect on Pathways and Mechanisms for D-Fructose Conversion to 5-Hydroxymethyl-2-furaldehyde: In Situ 13C NMR Study, J. Phys. Chem. A 117, 2102−2113 (2013). 19 Y. Ito, T. Yoshidome, N. Matubayasi, M. Kinoshita, and M. Ikeguchi, Molecular Dynamics Simulations of Yeast F1-ATPase before and after 16° Rotation of theJSubunit, J. Phys. Chem. B 117, 3298−3307 (2013). 20 K. Yoshida, N. Matubayasi, Y. Uosaki, and M. Nakahara, Effect of heavy hydrogen isotopes on the vibrational line shape for supercritical water through rotational couplings, J. Chem. Phys., 138, in press (12 pages) (2013). 21 W. Shinoda, R. DeVane, M. L. Klein, Computer Simulation Studies of Self-Assembling Macromolecules, Curr. Opin. Struct. Biol. 22, 175 (2012). 22 T. Nakamura and W. Shinoda, Method of evaluating curvature-dependent elastic parameters for small unilamellar vesicles using molecular dynamics trajectory, J. Chem. Phys., 138, in press (2013). 23 K. Fujimoto, N. Yoshii, and S. Okazaki, Free energy profiles for penetration of methane and water molecules into spherical sodium dodecyl sulfate micelles obtained using the thermodynamic integration method combined with molecular dynamics calculations, J. Chem. Phys. 136, 014511 (9pages), (2012). 24 K. Fujimoto, N. Yoshii, and S. Okazaki, Molecular dynamics study of free energy of transfer of alcohol and amine from water phase to the micelle by thermodynamic integration method, J. Chem. Phys. 137, 094902 (6pages) (2012). 25 K. Fujimoto, N. Yoshii, and S. Okazaki, Enthalpy and entropy of transfer of alkanes from water phase to the micelle core, Molecular Simulation, 38, 342-345 (2012). 26 Noriyuki Yoshii, Tomomi Emoto, Emiko Okamura, Lateral diffusion of lipids separated from rotational and translational diffusion of a fluid large unilamellar vesicle, Colloids and Surfaces B: Biointerfaces 106, 22–27 (2013). 27 H. Noguchi, Structure formation in binary mixtures of surfactants: vesicle opening-up to bicelles and octopus-like micelles, Soft Matter 8, 8926-8935 (2012). 28 H. Noguchi, Structure formation in binary mixtures of lipids and detergents: Self-assembly and vesicle division, J. Chem. Phys., 138, 024907 (9 pages) (2013). 45 添付資料 4 29 Takahiro Murashima, Masatoshi Toda, Toshihiro Kawakatsu, Multiscale simulation for soft matter: Application to wormlike micellar solution. AIP Conference Proceedings, 1518 (2013). 30 Takahiro Murashima, Masatoshi Toda, Toshihiro Kawakatsu, Multiscale Fluid Dynamics Simulation Applied to Micellar Solution. NIC Series, 46 (2013). 31 Masatoshi Toda and Toshihiro Kawakatsu, Structure and rheology of wormlike micellar systems, AIP Conf. Proc., 1518 (2013). 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 1. ⠛⏣ ΅ࠊ⬡㉁⭷ࡢ⢒どศᏊࢩ࣑࣮ࣗࣞࢩࣙࣥࠊColloid & Interface Communicationࠊ12(2) 55-61 (2013). 2. 㔝ཱྀ ༤ྖ, ⬡㉁⭷ࡢᵓ㐀ᙧᡂࡢ⢒どࢩ࣑࣮ࣗࣞࢩࣙࣥ, ⏕≀≀⌮ 53(1), 11-14 (2013). 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 1. ᯇᯘ ఙᖾ, ᣑᙇᆺࡢ⁐፹ᴫᛕᇶ࡙ࡃᆒ୍࣭ᆒ୍⁐ᾮ⣔ࡢ⮬⏤࢚ࢿࣝࢠ࣮ゎᯒ, ➨ 72 ᅇศᯒ Ꮫウㄽ, 5 ᭶ 19-20 ᪥ࠊ㮵ඣᓥ 2. ᯇᯘ ఙᖾࠊᾎᮏ ࠊ⊁㔝 ᗣேࠊḈᗞ ಇ, ATP ⣔࠾ࡼࡧࢱࣥࣃࢡ㉁⣔ᑐࡍࡿỈຠᯝࡢཎᏊ ⮬⏤࢚ࢿࣝࢠ࣮ゎᯒ, ᪂Ꮫ⾡㡿ᇦࠕᦂࡽࡂ⏕యᶵ⬟ࠖ ࠕỈ ATPࠖྜྠබ㛤ࢩ࣏ࣥࢪ࣒࢘ࠕࡺ ࡽࡂỈ−⏕ࡢ࢚ࢿࣝࢠ࣮ᶵ⬟ࡢศᏊᶵᵓࢆ᥈ࡿࠖ, 9 ᭶ 14-15 ᪥, 㜰 3. ᯇᯘ ఙᖾ, ᣑᙇᆺࡢ⁐፹ᴫᛕᇶ࡙ࡃࢯࣇࢺศᏊ㞟ᅋࡢ⮬⏤࢚ࢿࣝࢠ࣮ゎᯒ, ➨ 2 ᅇ CSJ Ꮫ ࣇ࢙ࢫࢱ 2012, 10 ᭶ 15 ᪥ࠊᮾி 4. ⠛⏣ ΅, ࣮࢜ࣉࣥࢯ࣮ࢫࢥ࣮ࢻࡢ⏝ࡼࡿ࣏ࣜࢯ࣮࣒ࡢ⢒どศᏊࢩ࣑࣮ࣗࣞࢩࣙࣥࠊ➨ 17 ᅇ 㧗ศᏊィ⟬ᶵ⛉Ꮫㅮᗙࠊ6 ᭶ 21 ᪥ࠊᮾி 5. ⠛⏣ ΅, 㝵ᒙⓗศᏊࢩ࣑࣮ࣗࣞࢩࣙࣥࡼࡿ⬡㉁⭷࣭࣋ࢩࢡࣝࡢ◊✲, ➨ 16 ᅇ࣌ࣉࢳࢻࣇ࢛࣮ࣛ ࣒, 12 ᭶ 21 ᪥ࠊᏱ 6. ⱱᮏ ຬ㸪ᕝୖ ᬛᩍ㸪ᯇᯘ ఙᖾ㸪ศᏊࢩ࣑࣮ࣗࣞࢩࣙࣥࡼࡿ㧗ศᏊᶵ⬟⭷タィࡢᒎᮃ㸪HPCI ࠕࢢࣛࣥࢻࢳࣕࣞࣥࢪ࣭ࣉࣜࢣ࣮ࢩࣙࣥࡢ◊✲㛤Ⓨࠖබ㛤ࢩ࣏ࣥࢪ࣒࢘㸪3 ᭶ 11 ᪥㸪ᮾி. 7. Noriyuki Yoshii, Large scale molecular dynamics calculations of assembly of amphiphilic molecules, ᪥ᮏ Ꮫ➨ 93 Ꮨᖺ, ㈡ 8. 㔝ཱྀ༤ྖ, ⏕య⭷ࡢ⧊ࡾᡂࡍከᵝ࡞ᙧែ, ➨㸵ᅇᏛ⼥ྜࣅࢪࣗࣛࢨ࣮ࢩࣙࣥࢩ࣏ࣥࢪ࣒࢘, 7 ᭶ 19 ᪥ࠊᮾி 9. 㔝ཱྀ༤ྖ, 䛫䜣᩿ὶ䚸⣽⟶ὶ୰䛾㉥⾑⌫䚸⬡㉁䝧䝅䜽䝹䛾㐠ື㻘㻌 ➨ 㻝㻣 ᅇ㛵すᏛඛ➃⛉Ꮫᢏ⾡䝅䞁䝫 䝆䜴䝮㻘㻌㻝 ᭶ 㻟㻜 ᪥䚸㻌 㜰 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 1. Nobuyuki Matubayasi, Extended Concept of Solvation toward Unified Understandings of Molecular Binding in Weakly Ordered Systems, JST International Symposium on Multi-scale Simulation of Condensed-phase Reacting Systems, 5 ᭶ 10-12 ᪥ࠊྡྂᒇ 2. Nobuyuki Matubayasi, Effects of water and cosolvents on functional molecules in solution, EMLG/JMLG Annual Meeting 2012 "Molecular association in fluid phases and at fluid interfaces, 9 ᭶ 5-9 ᪥, Eger, Hungary 46 添付資料 4 3. Nobuyuki Matubayasi, Free-energy analysis of water and cosolvent effects on biomolecules in the energetic perspective, Mini-Symposium on Modeling, Simulation and Function of Biomolecular Assemblies, 11 ᭶ 9 ᪥ࠊᮾி 4. Nobuyuki Matubayasi, Free-energy analysis of water and cosolvent effects on functional molecules in solution, RCAS Thursday Seminar, 12 ᭶ 13 ᪥ࠊྎ, ྎ‴ 5. W. Shinoda, Coarse Grained Molecular Simulations of Lipid Self-Assembly, ICERM: Bridging Scales in Computational Polymer Chemistry, 8 ᭶ 7 ᪥, Providence, RI, USA. 6. W. Shinoda, Coarse-Grained Molecular Simulation of Lipid Self-Assembly, American Physical Society March Meeting 2013, 3 ᭶ 19 ᪥, Baltimore, USA. 7. H. Noguchi, Bicelle formation of binary mixtures of surfactants, KITPC workshop “Membrane Biophysics | Theory and Experiment”, 5 ᭶ 11 ᪥ KITPC, ி, ୰ᅜ 8. H. Noguchi, Coarse-grained membrane simulations for nano- to micro-meter scale, KITPC workshop “Membrane Biophysics | Theory and Experiment”, 5 ᭶ 16 ᪥ KITPC, ி, ୰ᅜ 9. H. Noguchi, Dynamics of red blood cells and fluid vesicles in flows, Softflow 2012 - Biological Complex Fluids, 7 ᭶ 2 ᪥, Cargese, ࣇࣛࣥࢫ 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 1. ᡞ⏣ᫀ㸪ᕝᖺὒ㸪᩿ὶືୗ࠾ࡅࡿ⣣≧࣑ࢭࣝࡢ⢓ᙎᛶ㸪᪥ᮏ≀⌮Ꮫ 2012 ᖺ⛅Ꮨ㸪9 ᭶ 18-21 ᪥㸪ᶓ 2. 㔝ཱྀ༤ྖ, ࣂࢭࣝཬࡧ⻇≧࣑ࢭࣝᙧᡂࡢࢲࢼ࣑ࢡࢫ, ᪥᪥ᮏ≀⌮Ꮫ 2012 ᖺ⛅Ꮨ㸪9 ᭶ 18-21 ᪥㸪ᶓ 3. 㔝ཱྀ༤ྖ, ⏺㠃άᛶࡢᵓ㐀ᙧᡂࡢ⢒どࢩ࣑࣮ࣗࣞࢩࣙࣥ, ᮾ≀ᛶ◊ィ⟬≀㉁⛉Ꮫ◊✲ࢭࣥࢱ ࣮㸦CCMS㸧 ➨ 2 ᅇࢩ࣏ࣥࢪ࣒࢘, 10 ᭶ 22 ᪥, ᮾி 4. 㔝ཱྀ༤ྖ, ⏕య⭷ࡢศᒱᵓ㐀ࡢᙧᡂ࢚ࢿࣝࢠ࣮, ᪥ᮏ≀⌮Ꮫ➨ 68 ᅇᖺḟ, 3 ᭶ 28 ᪥, ᗈᓥ 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 1. H. Noguchi, Structure formation in surfactant mixtures: membrane self-assembly, bicelle formation, and detergent-adsorption-induced vesicle division, 2nd Tokyo U - Korea U Joint Workshop on Biological & Soft-matter Physics, 3 ᭶ 2 ᪥, ࢯ࢘ࣝ, 㡑ᅜ 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 47 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨ 㻟 㒊㻌 ㄢ㢟ྡ䠖㻌 䝘䝜䞉⏕ែ⣔䛾ᛂไᚚ䛸Ꮫᛂ䝎䜲䝘䝭䜽䝇㻌 ㄢ㢟௦⾲⪅䠖㻌 ୰㻌 ᾈᕭ㻌 ᡤᒓ䠖㻌 ᪩✄⏣Ꮫ㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 䞉ㄽᩥ㻌 1. M. Kunimoto, K. Seki, H. Nakai, T. Homma, “Theoretical analysis of adsorption structure of hydrated hypophosphite ion on Pd (111) surface”, Electrochemistry, 80 (4), 222–225 (2012) 2. M. Tarumi, M. Kobayashi, H. Nakai, “Accelerating convergence in the antisymmetric product of strongly orthogonal geminals method”, Int. J. Quantum Chem., 113 (3), 239–244 (2013). 3. Y. Imamura, R. Kobayashi, H. Nakai, “Linearity condition for orbital energies in density functional theory (IV): determination of range-determining parameter”, Int. J. Quantum Chem., 113 (3), 245–251 (2013). 4. T. Yoshikawa, M. Kobayashi1, H. Nakai, “Divide-and-conquer-based symmetry adapted cluster method: synergistic effect of subsystem fragmentation and configuration selection”, Int. J. Quantum Chem., 113 (3), 218–223 (2013). 5. Y. Ikabata, T. Sato, H. Nakai, “Self-consistent field treatment and analytical energy gradient of local response dispersion method”, Int. J. Quantum Chem., 113 (3), 257–262 (2013). 6. H. Nishizawa, Y. Imamura, Y. Ikabata, H. Nakai, “Development of the explicitly correlated Gaussian-nuclear orbital plus molecular orbital theory: incorporation of electron-electron correlation”, Chem. Phys. Lett., 533, 100–105 (2012). 7. P. Saparpakorn, M. Kobayashi1, S. Hannongbua, H. Nakai, “Divide-and-conquer based quantum chemical study for interaction between HIV-1 reverse transcriptase and MK-4965 inhibitor”, Int. J. 8. 9. 10. 11. 12. 13. 14. 15. 16. Quantum Chem., 113 (4), 510–517 (2013). M. Tamai, K. Kawahara, H. Tachibana, Y. Imamura, H. Nakai, K. Kuroda, “Direct alkoxysilylation of alkoxysilanes for the synthesis of explicit alkoxysiloxane oligomers”, R. Wakabayashi, J. Organometallic Chem., 716, 26–31 (2012). J. Seino, H. Nakai, “Local unitary transformation method for large-scale two-component relativistic calculations: case for a one-electron Dirac Hamiltonian”, J. Chem. Phys., 136 (24), 244102 (13 pages) (2012). P. Saparpakorn, M. Kobayashi, H. Nakai, “Divide-and-conquer electronic-structure study on the mechanism of the West Nile Virus NS3 protease inhibitor”, Bull. Chem. Soc. Jpn., 86 (1), 67–74 (2013). Y. Ikabata, H. Nakai, “Extension of local response dispersion method to excited state calculation based on time-dependent density functional theory”, J. Chem. Phys., 137 (12), 124106 (9 pages) (2012). (Top 20 Most Downloaded Articles—October & November 2012; Research Highlight) J. Seino, H. Nakai, “Local unitary transformation method for large-scale two-component relativistic calculations. II. Extension to two-electron Coulomb Interaction”, J. Chem. Phys., 137 (14), 144101 (15 pages) (2012). M. Kunimoto, K. Endo, H. Nakai, T. Homma, “Acceleration effect of thiourea on the oxidation reaction of hypophosphite ion on Ni surface”, Electrochimica Acta, in press (2013). M. Tarumi, M. Kobayashi, H. Nakai, “Generalized Møller–Plesset multiconfiguration perturbation theory applied to open-shell antisymmetric product of strongly orthogonal geminals reference wavefunction”, J. Chem. Theory Comput., 8 (11), 4330–4335 (2012). S. Ishigami, Y. Goto, N. Inoue, S. Kawazu, Y. Matsumoto, Y. Imahara, M. Tarumi, H. Nakai, N. Fusetani, Y. Nakao, “Cristaxenicin A, an antiprotozoan xenicane diterpenoid from the deep sea gorgonian Acanthoprimnoa cristata”, J. Org. Chem., 77 (23), 10962–10966 (2012). Y. Ikabata, H. Nakai, “Assessment of local response dispersion method for open-shell systems”, Chem. 48 添付資料 4 Phys. Lett., 556, 386–392 (2013). 17. M. Kobayashi, H. Nakai, “An analytical energy gradient method for divide-and-conquer second-order Møller–Plesset perturbation theory”, J. Chem. Phys., 138 (4), 044102 (11 pages) (2013). 18. Y. Imamura, R. Kobayashi, H. Nakai, “Linearity condition for orbital energies in density functional theory (III): Benchmark of total energies”, J. Comput. Chem., in press (2013). ࣭ᰝㄞࡁࣉࣟࢩ࣮ࢹࣥࢢ 1. M. Kobayashi, P. Saparpakorn, H. Nakai,“Development of divide-and-conquer quantum chemical code for biomolecules and nano materials”, Proceedings of ‘31st Annual Conference of Japan Society for Simulation Technology (JSST 2012)’ (Kobe, Japan, 27-28 Septembert, 2012), 330–333 (2012). 2. H. Nakai, K. Yoshizawa, K. Ando, T. Nakajima, E.J. Brandas,“Special Issue: Seventh Congress of the International Society for Theoretical Chemical Physics”, Int. J. Quant. Chem. (Preface), 113 (3), 171–172 (2013). (the Special Issue for the 7th Congress of the International Society for Theoretical Chemical Physics) 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 1. M. Kobayashi, H. Nakai, “How does it become possible to treat delocalized and/or open-shell systems in fragmentation-based linear-scaling electronic structure calculation: the case of divide-and-conquer method”, Phys. Chem. Chem. Phys. (Perspective), 14 (21), 7545–7876 (2012). 2. H. Nakai, “Ꮫཎ⌮ࡢⓎぢ㸸⦰㔜⣔ບ㉳ࡢᑐ⛠๎”, J. Comput. Chem. Jpn., 11 (1), 1–12 (2012). (Special Issue of the 10th Anniversary 2) 3. Y. Imamura, H. Nakai, “Description of core ionized and excited states by density functional theory and time-dependent density functional theory”, pp. 275–308 in ‘Quantum Systems in Chemistry and Physics: Progress in Methods and Applications’ Progress in Theoretical Chemistry and Physics, B 26, K. Nishikawa, J. Maruani, E. J. Brändas, G. Delgado-Barrio, P. Piecuch, (Eds.) (Springer, 2012). 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 1. ᑠᯘṇே, “つᶍ⣔ࡢ㔞ᏊᏛィ⟬: Ꮫ⌮ㄽィ⟬ᶵࡢⓎᒎࡀ㛤࠸ࡓୡ⏺ࡑࡢ㏆ᮍ᮶”, ➨ 26 ᮇ CAMM ࣇ࢛࣮࣒ࣛ㸦ࢥࣥࣆ࣮ࣗࢱࡼࡿᮦᩱ㛤Ⓨ࣭≀㉁タィࢆ⪃࠼ࡿ㸧➨ 2 ᅇ, 2012 ᖺ 11 ᭶ 9 ᪥, ᮾி. 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 1. H. Nakai, “Linear-scaling divide-and-conquer calculations for nonlocal excited states of large systems”, 17th Quantum Systems in Chemistry and Physics (QSCP-XVII), (Turku, Finland), August 19-25, 2012. 2. H. Nakai, “Symmetry rules for electronic excitations between degenerate orbitals in high-symmetry systems”, XXI International Symposium on The Jahn-Teller Effect: Physics and Chemistry of Symmetry Breaking (JT-XXI), (Tsukuba, Japan), August 26-31, 2012. 3. M. Kobayashi, “Quantum chemical calculations of large delocalized molecules with the divide-and-conquer method”, Asian International Symposium in the 93rd Annual Meeting of the Chemical Society of Japan, (Kusatsu, Japan), March 24, 2013. 4. H. Nakai, “Expansion and deepening of quantum chemical methods toward real science”, 17th International Annual Symposium on Computational Science and Engineering (ANSCSE17), Khon Kaen University (Khon Kaen, Thailand), March 27-29, 2013. (Keynote) 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 1. ᑠᯘṇே, ୰ᾈᕭ, “GAMESS ᐇࡉࢀࡓศ⤫(DC)㔞ᏊᏛィ⟬ἲࡢࣁࣈࣜࢵࢻ୪ิ ”, ➨ 6 ᅇศᏊ⛉Ꮫウㄽ, 2012 ᖺ 9 ᭶, ᮾி 2. す⃝ᏹ, ୰ᾈᕭ, Stephan Irle, “つᶍศᏊືຊᏛィ⟬ࢆ┠ᣦࡋࡓ DC-DFTB ⌮ㄽࡢ㛤Ⓨ”, ➨ 49 添付資料 4 6 ᅇศᏊᏛウㄽ, 2012 ᖺ 9 ᭶, ᮾி 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 1. M. Kobayashi, P. Saparpakorn, H. Nakai, “Development of divide-and-conquer quantum chemical code for biomolecules and nano materials”, JSST 2012 International Conference on Simulation Technology, (Kobe, Japan), September 27-28, 2012. 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 50 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨୕㒊㻌 ㄢ㢟ྡ䠖㻌 ᶵ⬟ᛶศᏊタィ㸫ගᶵ⬟ศᏊ㠀⥺ᙧእሙᛂ⟅ศᏊࡢග≀ᛶ㻌 ㄢ㢟௦⾲⪅䠖㻌 Ụཎṇ༤ࠊ୰㔝㞞⏤ࠊኴ⏣ᾈࠊ⸭ୗ⪽ࠊᑠ㛵ྐᮁ㻌 ᡤᒓ䠖㻌 ศᏊ◊ࠊ㜰ࠊ⏘⥲◊ࠊ᠕ࠊ㜰ᗓ㻌 㻌 㼇ㄽᩥ㼉㻌 1. R. Fukuda, M. Ehara, Electronic Excitations of C60 Fullerene Calculated Using the Ab Initio Cluster Expansion Method, J. Chem. Phys. 137, 134304-1-7 (2012). 2. R. Fukuda, R. Chidthong, R. Cammi, M. Ehara, Optical Absorption and Fluorescence of PRODAN in Solution㸸Quantum Chemical Study Based on the SAC-CI method, Chem. Phys. Lett. 552, 53-57 (2012). 3. D. Shimada, R. Kusaka, Y. Inokuchi, M. Ehara, T. Ebata, Nonradiative Decay Dynamics of Methyl 4-Hydroxycinnamate and Its Hydrated Complex Revealed by Picosecond Pump-Probe Spectroscopy, Phys. Chem. Chem. Phys. 14, 8999-9005 (2012). 4. S.K. Padhi, R. Fukuda, M. Ehara, K. Tanaka, Photo-isomerization and Proton-coupled Electron Transfer (PCET) Promoted Water Oxidation by Mononuclear Cyclometalated Ruthenium Catalysts, Inorg. Chem. 51, 5386-5392 (2012). 5. S.K. Padhi, R. Fukuda, M. Ehara, K. Tanaka, A Comparative Study of C^N and N^C Type Cyclometalated Ruthenium Complexes with an NAD+/NADH Function, Inorg. Chem. 51, 8091-8102 (2012). 6. Y. Morisawa, S. Tachibana, M. Ehara, Y. Ozaki, Elucidating Electronic Transitions from σ Orbitals of Liquid n- and Branched Alkanes by Far-ultraviolet Spectroscopy and Quantum Chemical Calculations, J. Phys. Chem. A 116, 11957-11964 (2012). 7. S. Namuangruk, R. Fukuda, M. Ehara, J. Meeprasert, T. Khanasa, S. Morada, T. Kaewin, S. Jungsuttiwong, T. Sudyoadsuk, V. Promarak, D-D-π-A Type Organic Dyes for Dye-Sensitized Solar Cells with a Potential of Direct Electron Injection and High Extinction Coefficient: Synthesis, Characterization, and Theoretical Investigation, J. Phys. Chem. C 116, 25653-25663 (2012). 8. R. Fukuda and M. Ehara, Mechanism for Solvatochromic Shifts of Free Base Porphyine Studied with Polarizable Continuum Models and Explicit Solute-Solvent Interactions, J. Chem. Theo. Comp. 9, 470-480 (2013). 9. S. Karanjit, K. Bobuatong, R. Fukuda, M. Ehara, H. Sakurai, Mechanism of Aerobic Oxidation of Methanol to Formic Acid on Au8–: A DFT Study, Int. J. Quantum Chem. 113, 428-436 (2013). 10. M. Promkatkaew, S. Suramitr, T. Karpkird, M. Ehara, S. Hannongbua, Absorption and Emission Properties of Various Substituted Cinnamic Acids and Cinnamates, Based on TDDFT Investigation, Int. J. Quantum Chem. 113, 542-554 (2013). 11. Ryohei Kishi*, Hiroaki Fujii, Shingo Kishimoto, Yusuke Murata, Soichi Ito, Katsuki Okuno, Yasuteru Shigeta, and Masayoshi Nakano*, Development of Calculation and Analysis Methods for the Dynamic First Hyperpolarizability Based on the Ab Initio Molecular Orbital – Quantum Master Equation Method, J. Phys. Chem. A, 116, 4371–4380 (2012). 12. Katsuki Okuno, Yasuteru Shigeta, Ryohei Kishi, Hiroshi Miyasaka, Masayoshi Nakano, Tuned CAM-B3LYP functional in the time-dependent density functional theory scheme for excitation energies and properties of diarylethene derivatives, Journal of Photochemistry and Photobiology A: Chemistry, 235, 29–34 (2012). 51 添付資料 4 13. Hitoshi Fukui*, Yudai Inoue, Taishi Yamada, Soichi Ito, Yasuteru Shigeta, Ryohei Kishi, Benoît Champagne, and Masayoshi Nakano*, Enhancement of the Third-Order Nonlinear Optical Properties in Open-Shell Singlet Transition-Metal Dinuclear Systems: Effects of the Group, of the Period, and of the Charge of the Metal Atom, J. Phys. Chem. A, 116, 5501–5509 (2012). 14. Kyohei Yoneda, Masayoshi Nakano*, Yudai Inoue, Tomoya Inui, Kotaro Fukuda, and Yasuteru Shigeta, Takashi Kubo, Benoît Champagne, Impact of Antidot Structure on the Multiradical Characters, Aromaticities, and Third-Order Nonlinear Optical Properties of Hexagonal Graphene Nanoflakes, J. Phys. Chem. C, 116, 17787–17795 (2012). 15. Soichi Ito, Takuya Minami, and Masayoshi Nakano*, Diradical Character Based Design for Singlet Fission of Condensed-Ring Systems with 4nπ Electrons, J. Phys. Chem. C, 116, 19729–19736 (2012). 16. Takuya Minami*, Soichi Ito, and Masayoshi Nakano*, Theoretical Study of Singlet Fission in Oligorylenes, J. Phys. Chem. Lett., 3, 2719–2723 (2012). 17. Kyohei Yoneda, Masayoshi Nakano*, Kotaro Fukuda, and Benoît Champagne, The Odd Electron Density Is the Guide toward Achieving Organic Molecules with Gigantic Third-Order Nonlinear Optical Responses, J. Phys. Chem. Lett., 3, 3338–3342 (2012). 18. Masayoshi Nakano*, Kyohei Yoneda, Ryohei Kishi, Hideaki Takahashi, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, and Edith Botek, One- and Two-Photon Absorptions in Open-Shell Singlet Systems, AIP Conf. Proc., 1504, 136-142 (2012). 19. Masayoshi Nakano*, Kyohei Yoneda, Hiroshi Nagai, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, and Edith Botek, Spin Polarization and Third-Order Nonlinear Optical Properties of Open-Shell Singlet Graphene Nanoflakes, AIP Conf. Proc., 1504, 392-398 (2012). 20. Akihiro Shimizu, Yasukazu Hirao, Takashi Kubo,*, Masayoshi Nakano, Edith Botek, Benoît Champagne, Theoretical Consideration of Singlet Open-Shell Character of Polyperiacenes Using Clar’s Aromatic Sextet Valence Bond Model and Quantum Chemical Calculations, AIP Conf. Proc., 1504, 399-405 (2012). 21. Ryohei Kishi*, Sean Bonness, Kyohei Yoneda, Takashi Kubo, Kenji Kamada, Koji Ohta, Benoît Champagne, Edith Botek, Takao Tsuneda and Masayoshi Nakano*, Long-Range-Corrected UDFT Study on Second Hyperpolarizabilities of Open-Shell Singlet Systems, AIP Conf. Proc., 1504, 651-654 (2012). 22. Takuya Minami, Kyohei Yoneda, Ryohei Kishi, Masayoshi Nakano*, Oscillatory and Rotatory Exciton Recurrence Motions in Double-Ring Molecular Aggregates Controlled by Two- Mode Circular-Polarized Laser Field, AIP Conf. Proc., 1504, 691-694 (2012). 23. Benoît Champagne, Edith Botek, Akihiro Shimizu, Takashi Kubo*, Kenji Kamada, Koji Ohta*, Ryohei Kishi, Hitoshi Fukui, Hideaki Takahashi, and Masayoshi Nakano*, Theoretical Aspects on the Evaluation and Interpretation of the Third-Order Nonlinear Optical Properties of Diradical Compounds, AIP Conf. Proc., 1504, 844-847 (2012). 24. Hitoshi Fukui, Kyohei Yoneda, Edith Botek, Benoît Champagne, and Masayoshi Nakano*, Second Hyperpolarizabilities of Singlet Diradical Compounds and their Radical Ions, AIP Conf. Proc., 1504, 852-855 (2012). 25. Ryohei Kishi,* Takuya Minami, Kyohei Yoneda, and Masayoshi Nakano*, Broken-Symmetry MO-CI Quantum Master Equation Approach to Exciton Dynamics in Open-Shell Singlet Systems, AIP Conf. Proc., 1504, 875-878 (2012). 26. Takashi Kubo*, Mitsuya Aoba, Akihiro Shimizu, Yasukazu Hirao, Kozo Matsumoto, Hiroyuki Kurata, Masayoshi Nakano, Singlet Open-Shell Character of Conjugated Kekulé Molecules, AIP Conf. Proc., 1504, 52 添付資料 4 883-886 (2012). 27. Hideaki Takahashi*, Kazuki Kubota, Hitoshi Fukui, Sean Bonness, Kyohei Yoneda, Ryohei Kishi, Takashi Kubo*, Kenji Kamada, Koji Ohta, Benoît Champagne, Edith Botek, and Masayoshi Nakano*, Electron Donor Solvent Effects on the (Hyper) Polarizabilities of a Solute Presenting Singlet Diradical Character, AIP Conf. Proc., 1504, 899-902 (2012). 28. Takuya Minami, Soichi Ito, Masayoshi Nakano*, Functional dependence of excitation energy for pentacene/C60 model complex in the nonempirically tuned long-range corrected density functional theory, Int. J. Quantum Chem., 113, 252-256 (2013). 29. Yasuteru Shigeta*, Tomoya Inui, Takeshi Baba, Katsuki Okuno, Hiroyuki Kuwabara, Ryohei Kishi, Masayoshi Nakano, Qantal cumulant mechanics and dynamics for multidimensional quantum many-body clusters, Int. J. Quantum Chem., 113, 348-355 (2013). 30. Shabbir Muhammad, Takuya Minami, Hitoshi Fukui, Kyohei Yoneda, Shu Minamide, Ryohei Kishi, Yasuteru Shigeta, Masayoshi Nakano*, Comparative study of diradical characters and third-order nonlinear optical properties of linear/cyclic acenes versus phenylenes, Int. J. Quantum Chem., 113, 592–598 (2013). 31. Masayoshi Nakano*, Ryohei Kishi, Hitoshi Fukui, Takuya Minami, Kyohei Yoneda, Shu Minamide, Yudai Inoue, Taishi Yamada, Soichi Ito, Shabbir Muhammad, Yasuteru Shigeta, Takashi Kubo, Benoît Champagne, Diradicalology in third-order nonlinear optical systems: Second hyperpolarizabilities of acetylene-linked phenalenyl-based superpolyenes, Int. J. Quantum Chem., 113, 585–591 (2013). 32. Kyohei Yoneda, Shu Minamide, Taishi Yamada, Soichi Ito, Takuya Minami, Ryohei Kishi, Yasuteru Shigeta, Masayoshi Nakano*, Antidot effects on the open-shell characters and second hyperpolarizabilities of rectangular graphene nanoflakes, Int. J. Quantum Chem., 113, 605–611 (2013). 33. Kenji Kamada*, Shin-ichi Fuku-en, Shu Minamide, Koji Ohta, Ryohei Kishi, Masayoshi Nakano, Hiroyuki Matsuzaki, Hiroshi Okamoto, Hiroyuki Higashikawa, Katsuya Inoue, Satoshi Kojima, and Yohsuke Yamamoto*, Impact of Diradical Character on Two-Photon Absorption: Bis(acridine) Dimers Synthesized from an Allenic Precursor, J. Am. Chem. Soc., 135, 232-241 (2013). 34. Shabbir Muhammad*, Kotaro Fukuda, Takuya Minami, Ryohei Kishi, Yasuteru Shigeta, Masayoshi Nakano, Interplay between the Diradical Character and Third-Order Nonlinear Optical Properties in Fullerene Systems, Chem. Eur. J., 19, 1677–1685 (2013). 35. Akihito Konishi, Yasukazu Hirao, Kouzou Matsumoto, Hiroyuki Kurata, Ryohei Kishi, Yasuteru Shigeta, Masayoshi Nakano, Kazuya Tokunaga, Kenji Kamada, and Takashi Kubo*, Synthesis and Characterization of Quarteranthene: Elucidating the Characteristics of the Edge State of Graphene Nanoribbons at the Molecular Level, J. Am. Chem. Soc., 135, 1430–1437 (2013). 36. Takuya Minami, Masayoshi Nakano, Quantum Master Equation Study of Electromagnetically Induced Transparency in Dipole-Coupled Dimer Models, Quantum Systems in Chemistry and Physics, pp 109-120, Chapter 5, in Progress in Theoretical Chemistry and Physics, Vol. 26, K. Nishikawa, J. Maruani, E. J. Brändas, G. Delgado-Barrio, P. Piecuch, (Eds.), Springer (2013). 37. Takuya Minami*, Soichi Ito, and Masayoshi Nakano*, Signature of Singlet Open-Shell Character on the Optically Allowed Singlet Excitation Energy and Singlet–Triplet Energy Gap, J. Phys. Chem. A, 117, 2000–2006 (2013). 38. Takahide Matsuoka, Sayo Oonishi and Satoshi Yabushita, “Theoretical Study on Angular Momentum Polarization Parameters, Branching Ratios, and Anisotropy Parameters of Chlorine Atoms from Photodissociation of Iodine Monochloride”, Int. J. Quantum Chem., 113, 375-381 (2013). 53 添付資料 4 [Ꮫ ᏛⓎ⾲] 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅 㻝㻚 Ụཎṇ༤㻘㻌 䛂⌮ㄽ䞉ィ⟬⛉Ꮫ䛻䜘䜛ඖ⣲ᡓ␎䛃㻘㻌 ศᏊ⛉Ꮫ䝅䞁䝫䝆䜴䝮䠈㻞㻜㻝㻞 ᖺ 㻢 ᭶ 㻥 ᪥㻘㻌 ᮾிᏛ㻌 㻞㻚 Ụཎṇ༤㻘㻌 䛂㻭㼡 䛚䜘䜃 㻭㼡㻛㻼㼐 䜽䝷䝇䝍䞊䛻䜘䜛ከᙬ䛺ゐ፹ᛂ䛾ᛂ⤒㊰䛃㻘㻌 䝅䞁䝫䝆䜴䝮䛂Ꮫᛂ⤒㊰ ᥈⣴䛾䝙䝳䞊䝣䝻䞁䝔䜱䜰 㻞㻜㻝㻞䛃㻘㻌㻞㻜㻝㻞 ᖺ 㻥 ᭶ 㻞㻞㻙㻞㻟 ᪥㻘㻌 ᮾிᏛ㻌 㻟㻚 Ụཎṇ༤㻘㻌 䛂⌮ㄽィ⟬䛻䜘䜛䝹䝭䝛䝑䝉䞁䝇䛾Ꮫ䛃㻘㻌 ᪥ᮏᏛ➨ 㻥㻟 Ꮨᖺ≉ู⏬䛂㻢㻠㻙䝹䝭䝛䝑䝉 䞁䝇Ꮫ䜰䞁䝃䞁䝤䝹䠖ከᙬ䛺Ⓨගᶵ⬟䛾ᇶ♏䛸ᐇ⏝ᒎ㛤䛃㻘㻌㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻡 ᪥㻘㻌㻞㻜㻝㻟㻘㻌 ❧㤋Ꮫ䜃䜟䛣䞉 䛟䛥䛴䜻䝱䞁䝟䝇㻌 㻠㻚 ୰㔝㞞⏤㻘㻌 䛂㛤Ẇᛶ䛜ᣅ䛟᪂つගᶵ⬟ศᏊ䛃㻘㻌 ᖹᡂ䠎䠐ᖺᗘ㜰Ꮫ䛂≀㉁䞉ᮦᩱ⛉Ꮫ◊✲᥎㐍ᶵᵓ䛃ㅮ₇ 䛂≀㉁⛉Ꮫ䛻䛚䛡䜛ศ㔝⼥ྜ䛃㻘㻌㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻠 ᪥㻘㻌 㜰Ꮫ㇏୰䜻䝱䞁䝟䝇㻌 ⌮Ꮫ◊✲⛉㻌 㻡㻚 ୰㔝㞞⏤㻘㻌 䛂㧗㟁Ꮚບ㉳≧ែ䛻ᑐ䛩䜛⌮ㄽィ⟬Ꮫ䛾䜰䝥䝻䞊䝏䛃㻘㻌 ᪥ᮏᏛ➨ 㻥㻟 Ꮨᖺ㻘㻌 ≉ู ⏬䛂」ྜບ㉳䛜ᣅ䛟㧗ᗘගᏊ⏝ศᏊ䝥䝻䝉䝇䛃㻘㻌㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻞 ᪥㻘㻌 ❧㤋Ꮫ䜃䜟䛣䞉䛟䛥䛴䜻䝱䞁䝟 䝇㻌 㻢㻚 ⸭ୗ㻌 ⪽㻘㻌 䛂㔜ཎᏊศᏊࡢග྾㐣⛬ࠊගศゎ㐣⛬ࡢ⌮ㄽィ⟬ࠖ㻘㻌 ඛ➃Ꮫ䞉ᮦᩱᢏ⾡㒊䞉䝁 䞁䝢䝳䞊䝍䜿䝭䝇䝖䝸ศ⛉䞉ḟୡ௦ 㻯㻯㼃㻳㻌 ㅮ₇䚸䠎䠌䠍䠎ᖺ䠍䠌᭶䠍䠎᪥䚸ᮾி㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅 1. Masahiro Ehara, Recent Developments of SAC-CI and Its Applications to Molecular Spectroscopy, The 31st European Congress on Molecular Spectroscopy (EUCMOS), August 26-31, 2012, Romania (Plenary Talk). 2. Masahiro Ehara, Theoretical and Computational Chemistry for Photofunctional Molecules and Nanocluster Catalysis, The 3rd ENSCP-IMS joint symposium, February 12-13, 2013, Japan. 3. Ryoichi Fukuda, Electronic exited states of large conjugated molecules studied by the direct SAC-CI method, Asian International Symposium - Theoretical Chemistry, Chemoinformatics, Computational Chemistry -, March 24, 2013, Japan. 4. Masayoshi Nakano, Diradical Character View of Singlet Fission, Singlet Fission 2012 Workshop, 2012 Jun 17-20, Peaceful Valley Ranch and Conference Center, Lyons, Colorado, USA 5. Ryohei Kishi, Masayoshi Nakano, Development of ab initio molecular orbital - quantum master equation approach and its application to the second-order nonlinear optical responses of molecular systems, 17th Malaysian Chemical Congress (17MCC), 15 October 2012, Putra World Trade Centre Kuala Lumpur, Malaysia 6. Ryohei Kishi, Masayoshi Nakano, Ab initio molecular orbital - quantum master equation approach: Application to the coherent and incoherent exciton dynamics of molecular materials, Cambodian Malaysian Chemical Conference (CMCC), 20 October 2012, Angkor Century Resort & Spa, Siem Reap, Cambodia 7. Masayoshi Nakano, Open-Shell Nonlinear Optical Systems, Orange County Discussion Meeting on Electronic, Optical and Magnetic Molecular Materials: Experiments and Modeling (Sponsored by the Indian Academy of Sciences and Supported by the Indian Institute of Science, November 25-28, 2012, Bangalore and Jawaharlal Nehru Centre for Advanced Scientific Research, Bangalore), Orange County, Coorg, Karnataka, India 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅 1. ⚟⏣Ⰻ୍, Ụཎṇ༤, 䛂䝫䝹䝣䜱䝸䞁䛻䛚䛡䜛䝋䝹䝞䝖䜽䝻䝭䝑䜽䝅䝣䝖䛾㉳※䛃䚸➨ 15 ᅇ⌮ㄽᏛウㄽ, 2012 ᖺ 5 ᭶ 24䠉26 ᪥, ྎᕷ⚟♴䝥䝷䝄 2. 㔜⏣⫱↷, 㤿ሙ๛ྐ, ዟ㔝ඞᶞ, ᬛஓ, ᱓ཎᘯᖾ, ᓊுᖹ, ୰㔝㞞⏤, 䜻䝳䝭䝳䝷䞁䝖ኚᩘ䛻䜘䜛ኚศⓗ ⮬⏤䜶䝛䝹䜼䞊ゎᯒ, ➨ 15 ᅇ⌮ㄽᏛウㄽ, 5 ᭶ 25 ᪥, ྎᕷ⚟♴䝥䝷䝄 54 添付資料 4 3. ᓊுᖹ, ᓊᮏ┿ᝅ, ᮧ⏣⿱, ఀ⸨⪽୍, ᒣ⏣ᚿ, 㔜⏣⫱↷, ୰㔝㞞⏤, ୍⨨䛚䜘䜃⨨䝧䞁䝊 䞁ㄏᑟయ䛾ືⓗ➨୍㉸ศᴟ⋡䛾 Ab initio MO 㔞Ꮚ䝬䝇䝍䞊᪉⛬ᘧἲ䛻䜘䜛✵㛫ゎᯒ, ➨ 15 ᅇ⌮ㄽ Ꮫウㄽ, 5 ᭶ 25 ᪥, ྎᕷ⚟♴䝥䝷䝄 4. 㤿ሙ๛ྐ, ⚄㇂ඞᨻ, ᯇ, ዟ㔝ඞᶞ, 䝬䜴䝻䝪䜶䝻, ᰿᮶ㄔྖ, ୰㔝㞞⏤, 㔜⏣⫱↷, 䝘䜲䝻䞁䜸䝸䝂 䝬䞊ศゎ㓝⣲䛾ᛂᶵᵓ䛻ᑐ䛩䜛䜰䝭䝜㓟ኚ␗䛾ຠᯝ, ศᏊ⛉Ꮫウㄽ 2012 ᮾி, 9 ᭶ 18 ᪥, ᮾிᏛ ᮏ㒓䜻䝱䞁䝟䝇 5. ዟ㔝ඞᶞ, 㔜⏣⫱↷, ᓊுᖹ, ᐑᆏ༤, ୰㔝 㞞⏤, 䝆䜰䝸䞊䝹䜶䝔䞁ㄏᑟయ䛾ග␗ᛶᛂ䛻ᑐ䛩䜛⌮ ㄽⓗ◊✲, ศᏊ⛉Ꮫウㄽ 2012 ᮾி, 9 ᭶ 19 ᪥, ᮾிᏛᮏ㒓䜻䝱䞁䝟䝇 6. ᓊுᖹ, ᓊᮏ┿ᝅ, ༡ฟ⚽, ᮧ⏣⿱, ⚟⏣ᖾኴ㑻, ⡿⏣ிᖹ, 㙊⏣㈼ྖ, ኴ⏣ᾈ, ஂಖᏕྐ, ୰㔝 㞞⏤, ከཧ↷ບ㉳≧ែィ⟬ἲ䛻ᇶ䛵䛟㛤Ẇ୍㔜㡯ከ⎔ᘧⅣỈ⣲䛾ගᏊ྾䝇䝨䜽䝖䝹䛾⌮ㄽⓗ◊ ✲, ศᏊ⛉Ꮫウㄽ 2012 ᮾி, 9 ᭶ 21 ᪥, ᮾிᏛᮏ㒓䜻䝱䞁䝟䝇 7. ᒣ⏣ᚿ, ୖ㞝, ⚟⏣ᖾኴ㑻, 㔜⏣⫱↷, ୰㔝㞞⏤, 䝦䝔䝻᰾㑄⛣㔠ᒓ⣔䛾䝆䝷䝆䜹䝹ᅉᏊ䛸୕ ḟ㠀⥺ᙧගᏛ≀ᛶ䛾⌮ㄽⓗ◊✲, ศᏊ⛉Ꮫウㄽ 2012 ᮾி, 9 ᭶ 21 ᪥, ᮾிᏛᮏ㒓䜻䝱䞁䝟䝇 8. 㔜⏣⫱↷, ᱓ཎᘯᖾ, ᬛஓ, 㤿ሙ๛ྐ, ዟ㔝ඞᶞ, ᓊுᖹ, ୰㔝 㞞⏤, 䜻䝳䝭䝳䝷䞁䝖ືຊᏛἲ䛻䜘䜛 䜽䝷䝇䝍䞊ᵓ㐀㌿⛣䛾ኚศⓗ⮬⏤䜶䝛䝹䜼䞊ゎᯒ, ศᏊ⛉Ꮫウㄽ 2012 ᮾி, 9 ᭶ 21 ᪥, ᮾிᏛᮏ㒓 䜻䝱䞁䝟䝇 9. ༡ᣅஓ, ఀ⸨⪽୍, ୰㔝㞞⏤, 䝅䞁䜾䝺䝑䝖䝣䜱䝑䝅䝵䞁䜢㉳䛣䛩୍㔜㡯㛤ẇ⦰⎔ⅣỈ⣲䛾⌮ㄽタィ, ศ Ꮚ⛉Ꮫウㄽ 2012 ᮾி, 9 ᭶ 21 ᪥, ᮾிᏛᮏ㒓䜻䝱䞁䝟䝇 10. ⡿⏣ிᖹ, ⚟⏣ᖾኴ㑻, ༡ฟ⚽, ୰㔝㞞⏤, 㛤Ẇ୍㔜㡯䜾䝷䝣䜵䞁䝘䝜䝣䝺䞊䜽䛾୕ḟ㠀⥺ᙧගᏛ≀ᛶ䛻 ᑐ䛩䜛䝗䝘䞊䞉䜰䜽䝉䝥䝍䞊⨨ᇶຠᯝ䛻㛵䛩䜛⌮ㄽⓗ◊✲, ศᏊ⛉Ꮫウㄽ 2012 ᮾி, 9 ᭶ 21 ᪥, ᮾ ிᏛᮏ㒓䜻䝱䞁䝟䝇 11. 㤿ሙ๛ྐ, ⚄㇂ඞᨻ, ᯇ, すཱྀᣅ⣖, 䝬䜴䝻䝪䜶䝻, ᰿᮶ㄔྖ, ୰㔝㞞⏤, 㔜⏣⫱, NylB 䛾ᛂᶵᵓ 䛻ᑐ䛩䜛䜰䝭䝜㓟ኚ␗ᑟධ䛾ຠᯝ, ❧ 90 ࿘ᖺグᛕ ➨ 64 ᅇ᪥ᮏ⏕≀ᕤᏛ, 10 ᭶ 26 ᪥, ⚄ᡞᅜ 㝿㆟ሙ 12. ⡿⏣ிᖹ, ⚟⏣ᖾኴ㑻, ᯇၨྐ, ᓊுᖹ, 㔜⏣⫱↷, ୰㔝㞞⏤, 䜾䝷䝣䜵䞁ෆ䛾䜰䞁䝏䝗䝑䝖ᵓ㐀䛻⏤ ᮶䛩䜛㛤Ẇᛶ䛚䜘䜃୕ḟ㠀⥺ᙧගᏛ≀ᛶ䛻㛵䛩䜛⌮ㄽ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 22 ᪥, ❧ 㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 13. ୰ᮧுኴ, 㔜⏣⫱↷, ዟ㔝ඞᶞ, ᓊுᖹ, 㕥ᮌಟ୍, 㛗㇂ᕝ⨾㈗, ୰㔝㞞⏤, ᇶᗏ≧ែ୕㔜㡯䝆䝷䝆䜹 䝹ศᏊ䛾ග྾≉ᛶ䛻㛵䛩䜛⌮ㄽⓗ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 22 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟 䛥䛴䜻䝱䞁䝟䝇 14. ༡ฟ⚽, 㙊⏣㈼ྖ, ኴ⏣ᾈ, ⡿⏣ிᖹ, ᓊுᖹ, 㔜⏣⫱↷, ୰㔝㞞⏤, WU Tsun-Cheng, WU Yao-Ting, ᯘ㈼୍, ᪥ẚ㑻, ΎỈ❶ᘯ, ᡞ㒊⩏ே, 䝣䜵䝙䝹䜶䝏䝙䝹ᇶ䜢ྵ䜐䝊䝖䝺䞁ㄏᑟయ䛾ගᏊ྾ 䛚䜘䜃䝆䝷䝆䜹䝹ᛶ䛻䛴䛔䛶䛾◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 22 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻 䝱䞁䝟䝇 15. ᮧ⏣⿱, ᓊᮏ┿ᝅ, ఀ⸨⪽୍, ⚟⏣ᖾኴ㑻, ᓊுᖹ, ୰㔝㞞⏤, 㛫౫Ꮡᐦᗘỗ㛵ᩘἲ䛻ᇶ䛵䛟㔞Ꮚ 䝬䝇䝍䞊᪉⛬ᘧἲ䛻䜘䜛ືⓗ➨୍㉸ศᴟ⋡䛾⌮ㄽⓗ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧ 㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 16. ᬛஓ, ዟ㔝ඞᶞ, 㤿ሙ๛ྐ, ⡿⏣ிᖹ, ⚟⏣ᖾኴ㑻, 㔜⏣⫱↷, ୰㔝㞞⏤, ᐇ✵㛫ᐦᗘỗ㛵ᩘἲ䜢⏝ 䛔䛯ⰾ㤶᪘ⅣỈ⣲䛾㠀⥺ᙧගᏛᛂ⟅≉ᛶ䛾⌮ㄽⓗ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧ 㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 17. ᱓ཎᘯᖾ, ᬛஓ, ዟ㔝ඞᶞ, ⚟⏣ᖾኴ㑻, 㤿ሙ๛ྐ, 㔜⏣⫱↷, ୰㔝㞞⏤, 䝅䝸䝁䞁䝘䝜䝗䝑䝖䛾㠀⥺ᙧ ගᏛ≉ᛶ䛾㟁Ⲵ౫Ꮡᛶ䛻䛴䛔䛶䛾⌮ㄽⓗ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧㤋Ꮫ䜃䜟 55 添付資料 4 䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 18. ఀ⸨⪽୍, ༡ᣅஓ, ୰㔝㞞⏤, ୍㔜㡯㛤Ẇᛶ䜢᭷䛩䜛⦰⎔ⅣỈ⣲䛾ບ㉳≧ែ䛾ከཧ↷ᦤືἲ䛻ᇶ䛵 䛟◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 19. ༡ᣅஓ, ఀ⸨⪽୍, ୰㔝㞞⏤, ୍㔜㡯㛤ẇᛶ䛜ගᏛチᐜບ㉳䜶䝛䝹䜼䞊䛻ཬ䜌䛩ຠᯝ䠖⌮ㄽ䝰䝕䝹ゎ ᯒ䛸䝫䝸䜰䝉䞁䛻䛴䛔䛶, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 20. ᒣ⏣ᚿ, ୖ㞝, 㔜⏣⫱↷, ୰㔝㞞⏤, Cr 䜢ྵ䜐䝦䝔䝻᰾㑄⛣㔠ᒓ⣔䛾䝆䝷䝆䜹䝹ᅉᏊ䛸୕ḟ㠀 ⥺ᙧගᏛ≀ᛶ䛾┦㛵䛻䛴䛔䛶䛾⌮ㄽ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟 䛥䛴䜻䝱䞁䝟䝇 21. ᯇၨྐ, ⚟⏣ᖾኴ㑻, ᓊுᖹ, 㔜⏣⫱↷, ୰㔝㞞⏤, ⎔≧䝏䜰䝆䝹䝆䝷䝆䜹䝹ྜ≀䛻䛚䛡䜛㛤Ẇᛶ 䛸୕ḟ㠀⥺ᙧගᏛ≀ᛶ䛾⌮ㄽⓗ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟䛥䛴 䜻䝱䞁䝟䝇 22. ୰㔝㞞⏤, 㠀ᑐ⛠㛤Ẇ୍㔜㡯ศᏊ⣔䛾୕ḟ㠀⥺ᙧගᏛຠᯝ䛾䝆䝷䝆䜹䝹ᅉᏊ౫Ꮡᛶ䛻䛴䛔䛶䛾⌮ㄽ◊ ✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 23. ⚟⏣ᖾኴ㑻, CHAMPAGNE Benoit, ୰㔝㞞⏤, ဨ⎔ཬ䜃භဨ⎔䛛䜙䛺䜛୍ḟඖ⦰⎔ඹᙺⅣỈ⣲䛾 ୍㔜㡯㛤Ẇᛶ䛸㠀⥺ᙧගᏛ≀ᛶ䛻㛵䛩䜛⌮ㄽⓗ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 24 ᪥, ❧㤋 Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 24. ᓊுᖹ, ᓊᮏ┿ᝅ, ༡ฟ⚽, ᮧ⏣⿱, ఀ⸨⪽୍, ⚟⏣ᖾኴ㑻, 㔜⏣⫱↷, 㙊⏣㈼ྖ, ኴ⏣ᾈ, ஂಖ Ꮥྐ, ୰㔝㞞⏤, 䝸䝺䞁⣔䛚䜘䜃䜰䞁䝔䞁⣔䛾ᇶᗏ䛚䜘䜃ບ㉳≧ែ䛾㟁Ꮚᵓ㐀䛸ගᏛᛂ⟅≀ᛶ䛾⌮ㄽⓗ ◊✲, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 23 ᪥, ❧㤋Ꮫ䜃䜟䛣, 䛟䛥䛴䜻䝱䞁䝟䝇 25. ୰ᲄᜨ⌮⳹, ቑ⏣⚽, ⸭ୗ⪽,ࠕࣛࣥࢱࣀࢻ-ࢩࢡࣟ࢜ࢡࢱࢸࢺ࢚ࣛࣥ㘒యࡢ㟁Ꮚ≧ែ㛵ࡍࡿ⌮ ㄽⓗ◊✲ࠖ, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 22 ᪥, ❧㤋Ꮫࡃࡉࡘ࢟ࣕࣥࣃࢫ 26. ᒣᮏᣅ☻, ⸭ୗ⪽, ࠕAxis-Switching ຠᯝࢆྵࡵࡓ Franck-Condon ᅉᏊࡢィ⟬᪉ἲࡢ㛤Ⓨ᭷ᶵศᏊ ࡢᛂ⏝ࠖ, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 24 ᪥, ❧㤋Ꮫࡃࡉࡘ࢟ࣕࣥࣃࢫ 27. ᯇᒸ㈗ⱥ, ⸭ୗ⪽, ࠕICl ศᏊࡢගゎ㞳㐣⛬࠾ࡅࡿ㔞Ꮚᖸ΅ຠᯝࠖ, ᪥ᮏᏛ➨ 93 Ꮨᖺ, 3 ᭶ 25 ᪥, ❧㤋Ꮫࡃࡉࡘ࢟ࣕࣥࣃࢫ ཷ㈹➼] [ཷ 䞉 ༡ᣅஓ, 䠄♫䠅⏕⏘ᢏ⾡⯆༠, H24 ᖺᗘୖ༙ᮇᾏእㄽᩥⓎ⾲ዡບ㈹ 䞉 ༡ᣅஓ, ᪥ᮏᏛ➨ 92 Ꮨᖺ(2012), Ꮫ⏕ㅮ₇㈹, 䛂䝆䝷䝆䜹䝹ᅉᏊ䛻ᇶ䛵䛟୍㔜㡯ศ䛾⌮ㄽⓗ ◊✲䛃 䞉 ᓊுᖹ, ➨䠒ᅇศᏊ⛉Ꮫウㄽ(ᮾி)2012, ศᏊ⛉Ꮫඃ⚽ㅮ₇㈹䛂ከཧ↷ບ㉳≧ែィ⟬ἲ䛻ᇶ䛵䛟㛤 Ẇ୍㔜㡯ከ⎔ᘧⅣỈ⣲䛾ගᏊ྾䝇䝨䜽䝖䝹䛾⌮ㄽⓗ◊✲䛃 䞉 Shabbir Muhammad, Conference on Computational Physics (CCP2012), Poster Award, "Interplay between diradical characters and third-order nonlinear optical properites in fullerene systems" 䞉 Shabbir Muhammad, The 53rd Sanibel Symposium, IBM-Löwdin Awards for Postdoctoral Associates, "Interplay between Diradical Characters and Third-Order Nonlinear Optical Properties in Fullerene Systems" 56 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨ᅄ㒊㻌 ㄢ㢟ྡ䠖㻌 ⇞ᩱ㟁ụ㛵㐃≀㉁䛻䛚䛡䜛ᇶ♏ㄢ⛬䛾つᶍィ⟬䛻䜘䜛◊✲㻌 ㄢ㢟௦⾲⪅䠖㻌 ᮡ㔝ಟ㻌 ᡤᒓ䠖㻌 ᮾிᏛ㻌 㻌 㼇ㄽᩥ㼉㻌㻺㼕㼏㽴㼜㼔㼛㼞㼑㻌㻮㼛㼚㼚㼑㼠㻘㻌㼀㼑㼠㼟㼡㼥㼍㻌㻹㼛㼞㼕㼟㼔㼕㼠㼍㻘㻌㻻㼟㼍㼙㼡㻌㻿㼡㼓㼕㼚㼛㻌㼍㼚㼐㻌㻹㼕㼚㼛㼞㼡㻌㻻㼠㼍㼚㼕㻘㻌䇾First-Principles Molecular Dynamics at a Constant Electrode Potential”, Physical Review Letters, 109 266101 (2012). 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 䛺䛧 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᅜෆ㆟㻌 ㉥ᮌேࠊࠕᅛᾮ⏺㠃ࡢ✵㛫ࢫࢣ࣮ࣝ㛫ࢫࢣ࣮ࣝࠖࠊᛂ⏝≀⌮Ꮫ࣭ᇙࡶࢀࡓ⏺㠃ࡢ㹖⥺࣭୰ᛶ Ꮚゎᯒ◊✲ࠊ2012 ᖺ 6 ᭶ࠊ㧗࢚ࢿࣝࢠ࣮ຍ㏿ჾ◊✲ᶵᵓ㸦ࡘࡃࡤ㸧 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻵㼗㼡㼠㼍㼞㼛㻌 㻴㼍㼙㼍㼐㼍㻘㻌 䇾㻰㼑㼚㼟㼕㼠㼥㻌 㼒㼡㼚㼏㼠㼕㼛㼚㼍㼘㻌 㼠㼔㼑㼛㼞㼥㻌 㼟㼠㼡㼐㼥㻌 㼛㼒㻌 㼔㼥㼐㼞㼛㼓㼑㼚㻌 㼑㼢㼛㼘㼡㼠㼕㼛㼚㻌 㼞㼑㼍㼏㼠㼕㼛㼚㻌 㼍㼠㻌 㼍㻌 㼜㼘㼍㼠㼕㼚㼡㼙㻔㻝㻝㻝㻕㻛㼣㼍㼠㼑㼞㻌 㼕㼚㼠㼑㼞㼒㼍㼏㼑䇿㻘㻌 㻝㻝㼠㼔㻌 㻿㼜㼞㼕㼚㼓㻌 㻹㼑㼑㼠㼕㼚㼓㻌 㼛㼒㻌 㼠㼔㼑㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌 㻿㼛㼏㼕㼑㼠㼥㻌 㼛㼒㻌 㻱㼘㼑㼏㼠㼞㼛㼏㼔㼑㼙㼕㼟㼠㼞㼥㻘㻌 㻞㻜㻝㻞㻚㻜㻡㻘㻌㻳㼑㼛㼞㼓㼑㼠㼛㼣㼚㻌㼁㼚㼕㼢㼑㼞㼟㼕㼠㼥㻘㻌㼃㼍㼟㼔㼕㼓㼚㼠㼛㼚㻌㻰㻯㻘㻌㼁㻿㻭㻌 㻻㼟㼍㼙㼡㻌 㻿㼡㼓㼕㼚㼛㻘㻌 䇾㻲㼕㼞㼟㼠㻙㻼㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌 㻹㼛㼘㼑㼏㼡㼘㼍㼞㻌 㻰㼥㼚㼍㼙㼕㼏㼟㻌 㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌 㼒㼛㼞㻌 㻱㼘㼑㼏㼠㼞㼛㼏㼔㼑㼙㼕㼏㼍㼘㼘㼥㻌 㻮㼍㼟㼑㼐㻌 㻿㼛㼘㼕㼐㻙㻸㼕㼝㼡㼕㼐㻌㻵㼚㼠㼑㼞㼒㼍㼏㼑䇿㻘㻌㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㼃㼛㼞㼗㼟㼔㼛㼜㻌㼛㼚㻌㻿㼛㼘㼍㼞㻌㻯㼔㼑㼙㼕㼏㼍㼘㻌㻱㼚㼑㼞㼓㼥㻌㻿㼠㼞㼍㼓㼑㻘㻌㻞㻜㻝㻞㻚㻣㻚㻞㻟㻙㻞㻤㻘㻌㻿㼑㼚㼐㼍㼕㻘㻌 㻶㼍㼜㼍㼚㻌 㻻㼟㼍㼙㼡㻌 㻿㼡㼓㼕㼚㼛㻘㻌 䇾㻰㼑㼢㼑㼘㼛㼜㼙㼑㼚㼠㻌 㼛㼒㻌 㼍㻌 㻲㼕㼞㼟㼠㻙㻼㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌 㻹㼛㼘㼑㼏㼡㼘㼍㼞㻌 㻰㼥㼚㼍㼙㼕㼏㼟㻌 㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌 㻿㼏㼔㼑㼙㼑㻌 㼒㼛㼞㻌 㻱㼘㼑㼏㼠㼞㼛㼏㼔㼑㼙㼕㼏㼍㼘㼘㼥㻌㻮㼕㼍㼟㼑㼐㻌㻿㼛㼘㼕㼐㻙㻸㼕㼝㼡㼕㼐㻌㻵㼚㼠㼑㼞㼒㼍㼏㼑䇿㻘㻌㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㼁㼚㼕㼛㼚㻌㼛㼒㻌㻹㼍㼠㼑㼞㼕㼍㼘㼟㻌㻾㼑㼟㼑㼍㼞㼏㼔㻌㻿㼛㼏㼕㼑㼠㼕㼑㼟㻌䇵㻌 㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻱㼘㼑㼏㼠㼞㼛㼚㼕㼏㻌㻹㼍㼠㼑㼞㼕㼍㼘㼟㻘㻌㻞㻜㻝㻞㻚㻥㻚㻞㻟㻙㻞㻤㻘㻌㼅㼛㼗㼛㼔㼍㼙㼍㻘㻌㻶㼍㼜㼍㼚㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 H. Kizaki, “NO Dissociative Adsorption on LaO (001) Surface of (La,Sr)FeO2.75 by Ab-Initio GGA CalculationsG”, NANO 2012 International Conference on Nanostructured Materials, August 26-31, 2012, Rhodes in Greece,㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 䛺䛧㻌㻌 㻌 䠷ⴭస≀䠹㻌 䛺䛧㻌㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 䛺䛧㻌㻌 㻌 㼇ཷ㈹➼㼉㻌 䛺䛧㻌 57 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖➨ 㻠 㒊㻌 ㄢ㢟ྡ䠖Ỉ⣲䞉䝯䝍䞁䝝䜲䝗䝺䞊䝖䛾⏕ᡂ䚸⼥ゎᶵᵓ䛸⇕ຊᏛⓗᏳᐃᛶ㻌 ㄢ㢟௦⾲⪅䠖⏣୰⚽ᶞ㻌 ᡤᒓ䠖ᒸᒣᏛᏛ㝔⮬↛⛉Ꮫ◊✲⛉㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 M. Matsumoto and H. Tanaka, Metastable Polymorphs of Clathrate Hydrates.J. Phys. Soc. Jpn. 81 SA005 (2012). L. Hakim, M. Matsumoto, K. Koga, and H. Tanaka, Inclusion of Neon Inside Ice Ic and its Influence to the Ice Structure.J. Phys. Soc. Jpn. 81 SA018 (2012). K. Himoto, M. Matsumoto, and H. Tanaka, Rotational Dynamics of Plastic Ice.J. Phys. Soc. Jpn. 81 SA023 (2012). Y. Yamakawa, M. Matsumoto, and H. Tanaka, Structure and Dynamics of Aqueous Solutions of Electrolytes in Confined Space. J. Phys. Soc. Jpn. 81 SA025 (2012). M. Matsuo, M. Matsumoto, and H. Tanaka, On the Occupancy of Carbon Dioxide Clathrate Hydrates: Grandcanonical Monte Carlo Simulations. J. Phys. Soc. Jpn. 81 SA027(2012). 㻌 㻌 F. Ishii, K. Terada, and S. Miura, First-principles study of spontaneous polarization and water dipole moment in ferroelectric ice XI, Mol. Sim. 38, 369 (2012). S. Miura, A variational path integral molecular dynamics method applied to molecular vibrational fluctuations, Mol. Sim. 38, 378 (2012). S. Miura, Molecular dynamics and hybrid Monte Carlo algorithms for the variational path integral with a fourth order propagato”, in: S. Tanaka, S. Rothstein, W. Lester (Eds.), Advances in Quantum Monte Carlo, the ACS Symposium Series 1094, 177 (American Chemical Society, Washington, DC, 2012). S. Miura, Variational path integral molecular dynamics study of small para-hydrogen clusters, in: K. Nishikawa, J. Marauni, E. J. Brandas, G. Delgado-Barrio, and P. Piecuch (Eds.), Quantum Systems in Chemistry and Physics, Progress in Theoretical Chemistry and Physics 26, 427 (Springer, Dordrecht 2012). S. Miura, Variational path integral molecular dynamics study of a water molecule, J. Phys.: Conf. Ser. (in press). T. Kawatsu and S. Miura, An efficient computational method for the implementation of a semi-classical instanton approach using discretized path integrals, J. Phys.: Conf. Ser. (in press). 㻌 58 添付資料 4 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 㻌 ᯇᮏṇࠊỈࡢ᰾⏕ᡂ⤖ᬗᡂ㛗ࡢࢲࢼ࣑ࢡࢫ ᪥ᮏ෭✵ㄪᏛࠕ෭ࠖ28(2012). ᯇᮏṇ, ⏣୰⚽ᶞࠊ࣓ࢱࣥࣁࢻ࣮ࣞࢺࡢ≀⌮Ꮫ──ࢡࣛࢫ࣮ࣞࢺࣁࢻ࣮ࣞࢺࡢᵓ㐀ࢆண ࡍࡿ Ꮫྠேࠕ᭶หᏛࠖ(2012). C. S. Guritno and S. Miura, “Structural Fluctuation of a Protonated Water Cluster”, Recent Dev. Comput. Sci. 4 (in press). 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 ᯇᮏṇ䚸Ỉ䛾ィ⟬≀⌮Ꮫ䛸䝕䞊䝍䝬䜲䝙䞁䜾䚸≀ᛶኟ䛾Ꮫᰯ 㞟୰䝊䝭 2012 ᖺ 8 ᭶ 9 ᪥, ᒱ㜧 㻌 ᯇᮏṇ䚸㐣෭༷Ỉ䛾ᚤどⓗᥥീ䚸㜰䝍䞁䝟䜽◊ᩥ᭶䝣䜷䞊䝷䝮, 2012 ᖺ 7 ᭶ 30 ᪥, 㜰 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 M. Matsumoto, Structure Selectivity of Clathrates, Telluride Workshop on the Microscopic Description of Gas Clathrate , July 10, 2012, Telluride, Colorado, USA. H. Tanaka, Thermodynamic Stability of Methane and Hydrogen Clathrate Hydrates, International Workshop on Solar-Chemical Energy Storage, July 25, 2012, Sendai, Japan. M. Matsumoto, Structure Selectivity of Clathrate Hydrates, Workshop on Structure and Dynamics of Water in Gas, Liquid and Solid Phases, November 28, 2012, Taipei, Taiwan. T. Kawatsu and S. Miura, Development of the ab initio instanton method for tunneling processes in molecular systems, International Symposium on Computational Science 2013, February 20, 2013, Kanazawa, Japan. 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 S. Miura, Development of variational path integral molecular dynamics method with applications to molecular systems, Conference on Computational Physics 2012, October 18, 2012, Kobe, Japan. 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 59 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖➨䠐㒊㻌 ㄢ㢟ྡ䠖ኴ㝧㟁ụ࠾ࡅࡿග㟁ኚࡢᇶ♏㐣⛬ࡢ◊✲ኚຠ⋡᭱㐺࣭㛗ᑑࡴࡅࡓつᶍᩘ್ ィ⟬㻌 ㄢ㢟௦⾲⪅䠖ᒣୗ୍㻌 ᡤᒓ䠖ᮾிᏛᏛ㝔ᕤᏛ⣔◊✲⛉㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 [1] Ryota Jono and Koichi Yamashita, “Two different lifetimes of charge separated states: A porphyrin-quinone system inf artificial photosynthesis”, J. Phys. Chem, C 116, 1445-1449 (2012). [2] Sergei Manzhos, Hiroshi Segawa, and Koichi Yamashita, “The effect of ligand substitution and water co-adsorption on the adsorption dynamics and energy level matching of amino-phenil acid dyes on TiO2”, PCCP, 14, 1749-1755 (2012). [3] Kenji Mishima and Koichi Yamashita, “Decoherence of entanglement in Markov approximation in terms of rotating wave approximation”, J. Comp. Chem. Japan, 11, 17-23 (2012). [4] H. Kamisaka, N. Mizuguchi, K. Yamashita, “Electron trapping at the lattice Ti atoms adjacent to the Nb dopant in Nb-doped rutile TiO2”, J. Mater. Sci. 47, 7522-7529 (2012). [5] Sergei Manzhos, Hiroshi Segawa, and Koichi Yamashita, “Computational dye design by changing the conjugation order: failure of LR-TDDFT to predict relative excitation energies in organic dyes differing by the position of the methane unit”, Chem. Phys. Lett., 527, 51-56 (2012). [6] S. Manzhos, J. Nakazaki, H. Segawa, K. Yamashita, “Theoretical analysis of the absorption spectra of organic dyes differing by the conjugation sequence: illusion of negative solvatochromism”, Proc. SPIE 8435, 84351K (2012) [7] S. Manzhos, J. Fujisawa, H. Segawa, K. Yamashita, “Isotopic substitution as a strategy to control non-adiabatic dynamics in photoelectrochemical cells: surface complexes between TiO2 and dicyanomethylene compounds”, Jpn. J. Appl. Phys., 51, 10NE03 (6 pages) (2012). [8] M. Chan, S. Manzhos, T. Carrington, K. Yamashita, “Parameterized bases for calculating vibrational spectra directly from ab initio data using rectangular collocation”, J. Chem. Theory Comput., 8(6), 2053-2061 (2012) [9] S. Manzhos, J. Fujisawa, H. Segawa, K. Yamashita, “Effect of nuclear vibrations, temperature, and orientation on injection and recombination conditions in amino-phenyl acid dyes on TiO2”, Proc. SPIE 8438, 843814 (2012) [10] Sergei Manzhos, Makoto Komatsu, Jotaro Nakazaki, Hiroshi Segawa, and Koichi Yamashita, “Theoretical analysis of the solvatochromism of organic dyes differing by the conjugation sequence”, J. Photon. Energy, 2, 028001 (2012), [11] M. Chan, K. Yamashita, T. Carrington, S. Manzhos, “Towards accurate spectroscopic identification of species at catalytic surfaces: anharmonic vibrations of formate on AuPt”, MRS Proceedings, 1484 (2012). [12] Yasumitsu Suzuki, Koichi Yamashita, “Real-time electron dynamics simulation of charge transfer reactions induced by nuclear motion”, Chem. Phys. Lett. 531, 216-222 (2012). [13] Maurizia Palummo, Giacomo Giorgi, Letizia Chiodo, Angel Rubio, Koichi Yamashita, "The nature of radiative transitions in TiO2-based nanosheets", J. Phys. Chem. C, 116, 18495-18503 (2012). [14] Sho Furutsuki, Sai-Cheong Chung, Shin-ichi Nishimura, Yusuke Kudo, Koichi Yamashita, and Atsuo Yamada, “Electrochromism of LixFePO4 induced by Intervalence Charge Transfer Transition”, J. Phys. Chem. C, 116, 15259-15264 (2012). [15] K. Mishima and K. Yamashita, “Alternative Approach of Generating Entanglement in Quantum Dots by Spatial Phase”, Mol. Physics, 110, 735-742 (2012). 60 添付資料 4 [16] Ayaka Kuroki, Hiroshi Ushiyama, Koichi Yamashita, “Theoretical studies of solvation effects on 2-(2’-hydroxyphenyl) benzimidazole”, Chem. Lett., 41, 672-673 (2012). [17] G. Giorgi, P. Belanzoni, T. Asami, K. Yamashita, “Neutron generation via the mechanism adsorption of pressurized deuterium on an electron deficient titanium matrix. An MD-DFT combined analysis on the mechanism of the Ti-D bond formation”, Int. J. Hydrogen Energy, 37, 18959-18971 (2012). [18] Ryota Jono, Masato Sumita, Yoshitaka Tateyama, and Koichi Yamashita, “Redox Reaction Mechanisms with Non-triiodide Mediators in Dye-Sensitized Solar Cells by Redox Potential Calculations”, J. Phys. Chem. Lett. 3, 3581-3584 (2012). [19] Sergei Manzhos, Hiroshi Segawa and Koichi Yamashita, “Effect of nuclear vibrations, temperature, co-adsorbed water, and dye orientation on light absorption, charge injection and recombination conditions in organic dyes on TiO2“, Phys. Chem. Chem. Phys., 15, 1141-1147 (2013). [20] Brijender Dahiya, Vinod Prasad, Koichi Yamashita, “Dynamics of interband transitions in triangular quantum wells due to static and laser fields”, J. Luminescence, 136, 240-248 (2013). [21] Eriko Watanabe䚸Hiroshi Ushiyama䚸Koichi Yamashita, “Theoretical studies on the stabilities and reactivities of Ta3N5 surfaces”,㻌 Chem. Phys. Lett. 561-562, 57-62 (2013). [22] Sergei Manzhos, Hiroshi Segawa fand Koichi Yamashita, “Effect of Isotopic Substitution on Elementary Processes in Dye-Sensitized Solar Cells: Deuterated Amino-Phenyl Acid Dyes on TiO2“, Computation, 1, 1-15 (2013). [23] Hideyuki Kamisaka, Nanako Mizuguchi, Tetsuya Hasegawa, Koichi Yamashita, “DFT-based first-principle calculation of the carrier activation ratio in the F-doped anatase TiO2and the thermodynamic analysis of the formation of the TiOF2 phase”, Advanced Chemistry Letters, in press (2013). [24] Jong-Won Song, Koichi Yamashita, and Kimihiko Hirao, “Gaussian attenuation hybrid scheme applied to the Ernzerhof-Perdew exchange hole model (Gau-PBEh)”, J. Chem. Phys. in press (2013) 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 1. ⸨ᖿஓ䚸ᒣୗ୍䚸⌮ㄽᏛ࡛㏕ࡿ᭷ᶵ⣔ኴ㝧㟁ụࡢ㟁Ⲵศ㞳ࢲࢼ࣑ࢡࢫᏛ䚸Ꮫྠே䚸Vol䠊 68䠈72-73䚸2013 2. ∵ᒣᾈ䚸ᒣୗ୍䚸ゐ፹ࡢ➨୍ཎ⌮ィ⟬࠾ࡼࡧᵓ㐀᭱㐺ࠊ➨୍ཎ⌮ィ⟬㞟,㸦ᰴ㸧ሗᶵᵓࠊ 2013 3. ᇛ㔝ுኴ䚸ᒣୗ୍䚸Ⰽ⣲ቑឤᆺኴ㝧㟁ụࠊ➨୍ཎ⌮ィ⟬㞟ࠊ 㸦ᰴ㸧ሗᶵᵓࠊ2013 4. ᳺᒣኴࠊᒣୗ୍ࠊLi2MSiO4, 㧗ᛶ⬟ࣜࢳ࣒࢘࢜ࣥ㟁ụ㛤Ⓨ᭱๓⥺㹼㸳㹔⣭ṇᴟᮦᩱࡢ⌧≧ 㧗࢚ࢿࣝࢠ࣮ᐦᗘࡢᣮᡓࠊNTSࠊ2013 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 1. ᒣୗ୍ࠊTheoretical Study on Electron Injection and Recombination in Organic Solar Cellsࠊ 㻺㻵㻹㻿㻌㻳㼞㼑㼑㼚㻌 䝅䞁䝫䝆䜴䝮䚸䠎䠌䠍䠎ᖺ䠒᭶䠎䠒᪥䚸≀ᮦ◊䠄䛴䛟䜀䠅 㻞㻚 ᒣୗ୍䚸⌮ㄽィ⟬Ꮫ䛻䜘䜛㓟䝏䝍䞁䛾ᇶ♏⛉Ꮫ䚸㻾㻭㼀㻻 ᭷ᶵ⣔ኴ㝧㟁ụ䝽䞊䜽䝅䝵䝑䝥䚸䠎䠌䠍䠎ᖺ䠍 䠎᭶䠍䠎᪥䚸ᮾඛ➃◊䠄ᮾி䠅㻌 㻌 㻌 㻌 61 添付資料 4 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 1. Sergei Manzhos, Koichi YamashitaࠊA Theoretical Study on Electron Injection and Recombination of Surface Complexes with TiO2, Energy Materials Nanotechnology, April 16-20 2012, Orland (Florida, USA) 2. Koichi Yamashita, Theoretical studies on photoinduced charge separation of dye-sensitized solar cells, ACS, Aug. 20-23 2012, Philadelphia (Penn. USA) 3. Hideyuki Kamisaka, Nanako Mizuguchi, Koichi Yamashita, Electron trapping at the lattice Ti atoms adjacent to the Nb dopant in Nb-doped rutile TiO2, International Symposium on Transparent Conductive Materials, Oct. 21-25 2012, Creta (Greece) 4. Koichi Yamashita, Theoretical study on Nb-doped TiO2 as transparent conducting materials, Energy Materials Nanotechnology West, Jan. 7-10 2013, Houston (USA) 㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻝㻚 ᇛ㔝ுኴ䚸⸨ἑ₶୍䚸℩ᕝᾈྖ䚸ᒣୗ୍䚸ບ㉳≧ែ䛸⁐፹ຠᯝ䠖⏺㠃㘒య䜢⏝䛔䛯⌮ㄽ⛉Ꮫⓗ◊✲䚸 ศᏊ⛉Ꮫウㄽ䚸㻞㻜㻝㻞 ᖺ䠕᭶䠍䠔᪥䇷䠎䠍᪥䚸ᮾி㻌 ᫍ㔝⪷Ⰻ䚸⸨ᖿஓ䚸ᒣୗ୍䚸᭷ᶵⷧ⭷ኴ㝧㟁ụ(PCBM/P3HT)ࡢ π ඹᙺ㛗ศᏊ㓄ྥ㛵ࡍࡿ⌮ ㄽⓗ◊✲ࠊ᪥ᮏᏛ➨ ᖺ㸦㸧 ࠊ ᖺ ᭶ ᪥ὠ ♽ẓㄹ࣭ᳺᒣኴ࣭ᒣୗ୍ࠊ➨୍ཎ⌮ィ⟬ࢆ⏝࠸ࡓ 1D ࢜ࣥ㟁ụṇᴟᮦᩱ 1D)H32) 㛵ࡍࡿ ◊✲ࠊ᪥ᮏᏛ➨ ᖺ㸦㸧 ࠊ ᖺ ᭶ ᪥ὠ 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 1. Koichi Yamashita, A Theoretical Study on Electron Injection and Recombination of Surface Complexes with TiO2, Energy & Materials Research Conference, 20-22 June 2012, Torremolinos (Malaga, Spain) 2. Mikiya Fujii, Koichi Yamashita, Packing Effects in Organic Donor–Acceptor Molecular Heterojunctions, XXI International Materilas Research Congress, 12-17 Aug. 2012, Cancun (Mexico) 3. Koichi Yamashita, Charge Transfer States of Organic Donor/Acceptor Solar Cells and Photosynthesis Systems, CECAM, 10-14 Sept. 2012, Cagliari (Italy) 4. M. Fujii and K. Yamashita, Packing effects in charge transfer dynamics in organic molecular heterojunctions consisting of TFB and F8BT, American Physical Society March Meeting 2013, March 19 2013, Baltimore (USA) 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 62 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖➨ 㻠 㒊㻌 ㄢ㢟ྡ䠖䝞䜲䜸䝬䝇⏝䛻ྥ䛡䛯㓝⣲ᛂゎᯒ㻌 ㄢ㢟௦⾲⪅䠖ྜྷ⏣⣖⏕㻌 ᡤᒓ䠖ᕞᏛᏛ㝔⌮Ꮫ◊✲㝔㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 1. Kazuya Shiratori, Shoichi Yamaguchi, Tahei Tahara, and Akihiro Morita, "Computational Analysis of the Quadrupole Contribution in the Second-Harmonic Generation Spectroscopy for the Water/Vapor Interface" J. Chem. Phys. 138, 064704. 2013. 2. Daiki Suzuoka, Hideaki Takahashi, Tatsuya Ishiyama, and Akihiro Morita, "Development of a Methodology to Compute Solvation Free Energies on the Basis of the Theory of Energy Representation for Solutions Represented with a Polarizable Force Field" J. Chem. Phys. 137, 214503. 2012. 3. Tatsuya Ishiyama, Hideaki Takahashi, and Akihiro Morita, "Origin of Vibrational Spectroscopic Response at Ice Surface" J. Phys. Chem. Lett.3 /20, 3001-3006. 2012. 4. Kazuya Shiratori and Akihiro Morita, "Theory of Quadrupole Contributions from Interface and Bulk in Second-Order Optical Processes" Bull. Chem. Soc. Jpn.85 /10, 1061-1076. 2012. 5. Tatsuya Ishiyama, Yuji Sato, and Akihiro Morita, "Interfacial Structures and Vibrational Spectra at Liquid/Liquid Boundaries: Molecular Dynamics Study of Water/Carbon Tetrachloride and Water/1, 2-Dichloroethane Interfaces" J. Phys. Chem. C 116 /40, 21439-21446. 2012. 6. Suguru Sakaguchi and Akihiro Morita, "Mass Accommodation Mechanism of Water through Monolayer Films at Water/Vapor Interface" J. Chem. Phys. 137, 064701. 2012. 7. Tatsuya Ishiyama, Hideaki Takahashi, and Akihiro Morita, "Molecular Dynamics Simulations of Surface-Specific Bonding of the Hydrogen Network of Water: A Solution to the Low Sum-Frequency Spectra" Phys. Rev. B86, 035408 (10 pages). 2012. 8. Tatsuya Kawaguchi, Kazuya Shiratori, Yuki Henmi, Tatsuya Ishiyama, and Akihiro Morita, "Mechanisms of Sum Frequency Generation from Liquid Benzene: Symmetry Breaking at Interface and Bulk Contribution" J. Phys. Chem. C 116, 13169-13182. 2012. 9. Hideaki Takahashi, Atsushi Omi, Akihiro Morita, and Nobuyuki Matubayasi, "Simple and Exact Approach to the Electronic Polarization Effect on the Solvation Free Energy: Formulation for Quantum-Mechanical / Molecular-Mechanical System and its Applications to Aqueous Solutions" J. Chem. Phys. 136, 214503. 2012. 10. Takako Imamura, Yuri Mizukoshi, Tatsuya Ishiyama, and Akihiro Morita, "Surface Structures of NaF and Na2SO4 Aqueous Solutions: Specific Effects of Hard Ions on Surface Vibrational Spectra" J. Phys. Chem. C 116, 11082-11090. 2012. 11. Nobuaki Kikkawa, Tatsuya Ishiyama, and Akihiro Morita, "Molecular Dynamics Study of Phase Transfer Catalyst for Ion Transfer through Water-Chloroform Interface" Chem. Phys. Lett. 534, 19-22. 2012. 㻌 㻌 㻌 㻌 63 添付資料 4 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 㻌 㻌 㻝㻚㻌 ᳃⏣᫂ᘯ㻌 㻎㻿㻲㻳 䝇䝨䜽䝖䝹䛾䝅䝭䝳䝺䞊䝅䝵䞁㻎㻌 ศග◊✲㻌 㻢㻝㻌㻛㻢㻘㻌㻞㻟㻢㻙㻞㻠㻞㻚㻌㻞㻜㻝㻞㻚㻌 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 㻝㻚 ྜྷ⏣⣖⏕䠈䛂⏕యศᏊ䛾⁐፹䛸䝸䜺䞁䝗ㄆ㆑䠖㻟㻰㻙㻾㻵㻿㻹 䛻䜘䜛䜰䝥䝻䞊䝏䛃䠈㻌 ሗィ⟬Ꮫ⏕≀Ꮫ 䞉➨ 㻟㻟㻡 ᅇ 㻯㻮㻵 ◊✲ㅮ₇䠈㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻝㻠 ᪥䠈ᮾிᏛᒣୖ㤋䠄ᮾி㒔䠅㻌 㻞㻚 ྜྷ⏣⣖⏕䠈䛂⏕య㧗ศᏊ䛸Ỉ䛾⌮ㄽᏛ䛃䠈䝁䝻䜲䝗䠃⏺㠃⛉Ꮫ◊✲㻌 ➨ 㻞 ᅇ䝉䝭䝘䞊䠈㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻞㻝 ᪥䠈ಙᕞᏛᕤᏛ㒊㻌 ಙᕞ⛉Ꮫᢏ⾡⥲ྜ⯆䝉䞁䝍䞊㻘㛗㔝ᕷ㻌 㻟㻚 ྜྷ⏣⣖⏕䠈䛂⏕యศᏊ䛾Ỉ䛸ᶵ⬟ࠥ䠮䠥䠯䠩⌮ㄽ䛻䜘䜛䜰䝥䝻䞊䝏ࠥ䛃䠈᪂Ꮫᢏ⾡᥎㐍༠㻌 ඛ➃ Ꮫ䞉ᮦᩱᢏ⾡㒊㻌 䝁䞁䝢䝳䞊䝍䜿䝭䝇䝖䝸ศ⛉㻌 ḟୡ௦䠟䠟䠳䠣㻌 ㅮ₇䠈㻞㻜㻝㻞 ᖺ 㻝㻝 ᭶ 㻥 ᪥䠈බ┈♫ᅋ ἲே㻌 ᪂Ꮫᢏ⾡᥎㐍༠㻌 ㆟ᐊ䠈༓௦⏣༊㻌 㻠㻚 ྜྷ⏣⣖⏕䠈䛂㻟㻰㻙㻾㻵㻿㻹 䜢୰ᚰ䛸䛧䛯⏕యᶵ⬟ゎᯒ䠖⌮ㄽィ䜈䛾ᐇ䛭䛧䛶ᛂ⏝ࠥி䝇䝟䝁䞁䛷ྍ⬟䛻 䛺䜛䛣䛸ࠥ䛃䠈䝃䜲䜶䞁䝔䜱䝣䜱䝑䜽䝅䝇䝔䝮◊✲ 㻴㻼㻯 䝣䜷䞊䝷䝮䠎䠌䠍䠎㻌 䜶䜽䝃䝇䜿䞊䝹䝁䞁䝢䝳䞊䝔䜱䞁䜾 䛻ྥ䛡䛶䠈㻞㻜㻝㻞 ᖺ 㻤 ᭶ 㻞㻜 ᪥䠈ộ␃䝅䝔䜱䝉䞁䝍䞊䠈 ༊㻌 5. ᳃⏣᫂ᘯ䚸"ᰂ䜙䛛䛺⏺㠃䛾ᵓ㐀䛸ᶵ⬟䛾⌮ㄽゎᯒ"䚸䝅䞁䝫䝆䜴䝮䛂」㞧⣔䛾䛯䜑䛾ศᏊ⛉Ꮫ䇲」㞧䛥䛸 ᰂ䜙䛛䛥䛃䚸 ᪥ᮏᏛ➨ 93 Ꮨᖺ䚸2013. 3. 22-25. ⲡὠ 6. ᳃⏣᫂ᘯ䚸⏺㠃࿘Ἴศග䛾⌮ㄽ䛸ゎᯒᡭἲ䛾᪂ᒎ㛤䚸᪥ᮏ⾲㠃⛉ᏛᏛ⾡ㅮ₇䛂㟁ᴟ⾲㠃⛉Ꮫ䛾 ῝䛸㐍䜢┠ᣦ䛩ィ 䛸⌮ㄽ䛾᪂ᒎ㛤䛃䚸2012. 11. 20-22. ྎ 7. ᳃⏣᫂ᘯ䚸"⏺㠃࿘ἼⓎ⏕ศග䛾⌮ㄽ䛾㛤Ⓨ䛸ᾮయ⏺㠃䜈䛾ᛂ⏝"䚸ᖹᡂ 24 ᖺᗘᏛ⣔Ꮫ༠ᮾ 䚸2012. 9. 15-16. ⛅⏣ 㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻝㻚 ྜྷ⏣⣖⏕䠈䛂㻟㻰㻙㻾㻵㻿㻹 䛻䜘䜛 㻷㼏㼟㻭 䝏䝱䝛䝹୰䛾䜹䝏䜸䞁⤖ྜ䝰䞊䝗ゎᯒ䛃䠈䜰䝆䜰㐃ᦠศᏊ◊◊✲䛂ᐇ 㦂ཬ䜃⌮ㄽ◊✲ᡭἲ䛾㛤ᣅ䛸᪂つ≀ᛶ᥈⣴䜈䛾ᒎ㛤䠋 㻾㼑㼏㼑㼚㼠㻌 㼐㼑㼢㼑㼘㼛㼜㼙㼑㼚㼠㻌 㼛㼒㻌 㼑㼤㼜㼑㼞㼕㼙㼑㼚㼠㼍㼘㻌 㼍㼚㼐㻌 㼠㼔㼑㼛㼞㼑㼠㼕㼏㼍㼘㻌㼙㼑㼠㼔㼛㼐㼛㼘㼛㼓㼥㻌㼛㼚㻌㼘㼕㼝㼡㼕㼐㼟㻌㼍㼚㼐㻌㼟㼛㼒㼠㻌㼙㼍㼠㼠㼑㼞㼟㻦㻌㻮㼍㼟㼕㼏㻌㼜㼞㼛㼜㼑㼞㼠㼕㼑㼟㻌㼍㼚㼐㻌㼍㼜㼜㼘㼕㼏㼍㼠㼕㼛㼚㼟㻌㼠㼛㻌㼚㼛㼢㼑㼘㻌㼐㼑㼢㼕㼏㼑㼟䛃䠈 㻞㻜㻝㻞 ᖺ 㻢 ᭶ 㻞 ᪥䠈ศᏊ⛉Ꮫ◊✲ᡤ䠄ᒸᓮᕷ䠅㻌 2. A. Morita, "Water and Ice Surfaces studied by Combination of Nonlinear Spectroscopy and Molecular Dynamics Simulation" Campus Asia Sendai Symposium, Dec. 17-18, 2012. Sendai, Japan. 3. A. Morita, "Computational analysis of sum frequency generation spectroscopy" University of Akron, Aug. 24, 2012. Akron, OH, USA. 4. A.㻌 Morita, "Mechanisms of Sum Frequency Generation from Liquid Benzene: Symmetry Breaking at Interface and Bulk Contribution", ACS National Meeting, Symposium on "Recent Advances in Studies of Molecular Processes at Liquid Interfaces", Aug. 19-23, 2012. Phidaldephia, PA, USA. 5. A. Morita, "Computational analysis of SFG spectroscopy and application to liquid interfaces", Pacific Northwest National Laboratory, Jun. 22, 2012. Richland, WA, USA. 6. A. Morita, "Analysis of SFG Spectra of Organic Liquid Surfaces", Telluride Science Research Conference on Nonlinear Optics at Interfaces, Telluride, CO, USA, Jun. 17-21, 2012. 㻌 㻌 㻌 㻌 64 添付資料 4 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 1. ᖹᡂ 24 ᖺᗘᏛ⣔Ꮫ༠ᮾ ඃ⚽䝫䝇䝍䞊㈹ ᮧ㈗Ꮚ䠄D2䠅䚸2012 ᖺ 9 ᭶ 㻌 65 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖➨䠐㒊㻌 ㄢ㢟ྡ䠖㧗ᛶ⬟䝸䝏䜴䝮䜲䜸䞁㟁ụ䛾㛤Ⓨ䛻ྥ䛡䛯ᇶ♏ⓗ◊✲㻌 ㄢ㢟௦⾲⪅䠖㇂㻌 ᐇ㻌 ᡤᒓ䠖⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䝘䝜䝅䝇䝔䝮◊✲㒊㛛㻌 㻌 㼇ㄽᩥ㼉㻌 㻌 㻌 㼇⥲ㄝ䚸ゎㄝ㼉㻌 㻌 㼇㻝㼉㻌 ᓲ㻌 㝯ᇶ䚸ᅵ⏣㻌 ⱥ䚸㇂㻌 ᐇ䠈䇿⇞ᩱ㟁ụ⏝㧗ศᏊᮦᩱ䛾䝅䝭䝳䝺䞊䝅䝵䞁䇿䠈⏘⥲◊ 㼀㼛㼐㼍㼥䠈⏘ᴗᢏ⾡⥲ ྜ◊✲ᡤ䚸㻞㻜㻝㻟㻛㻜㻞㻛㻜㻠㻌 㻌 㼇ᏛⓎ⾲㼉㻌 㻌 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅㻌 㼇㻝㼉㻌 ㇂㻌 ᐇ䚸䇿㟁ᴟ⾲㠃䛷䛾ゐ፹స⏝䛾㟁Ꮚㄽ䇿䚸ゐ፹ウㄽ䚸㻞㻜㻝㻞㻛㻜㻥㻛㻞㻡䚸ᕞᏛ䚸⚟ᒸ㻌 㼇㻞㼉㻌 ㇂㻌 ᐇ䚸䇿㟁ᴟ㻛⁐ᾮ⏺㠃䛻䛚䛡䜛㟁ẼᏛᛂ䝅䝭䝳䝺䞊䝅䝵䞁䠖⌮ㄽ䛾Ⓨᒎ䛸᭱㏆䛾ᒎ㛤䇿䚸䝇䞊䝟䞊䝁 䞁䝢䝳䞊䝍䝽䞊䜽䝅䝵䝑䝥 㻞㻜㻝㻟䚸⮬↛⛉Ꮫ◊✲ᶵᵓ䚸ឡ▱㻌 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 66 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖➨䠐㒊㻌 ㄢ㢟ྡ䠖䝘䝜ᵓ㐀యᮦᩱ䛻䛚䛡䜛㧗ຠ⋡㠀ᖹ⾮䜶䝛䝹䜼䞊ኚ㐣⛬䛸䝘䝜ᵓ㐀〇䛾⌮ㄽ䝅䝭䝳䝺䞊䝅䝵䞁㻌 ㄢ㢟௦⾲⪅䠖ὸ⨾༤㻌 ᡤᒓ䠖⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䞉䝘䝜䝅䝇䝔䝮◊✲㒊㛛㻌 㻌 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HLR7RSLFDO:RUNVKRSRQ6HPLFRQGXFWRU6SLQWURQLFV͒.HLR8QLYHUVLW\<DJDPL &DPSXV-DQXDU\ +LURVKL.DWD\DPD<RVLGD ͒'HVLJQRIGIHUURPDJQHWLVPLQ0J2&D2%DR6U2DQG=Q2 68 添付資料 4 EH\RQG/'$DQGPXOWLVFDOHVLPXODWLRQV͒, , QWHUQDWLRQDO6\PSRVLXPRQ1RQHUJRGLFEHKDYLRU LQPDUWHQVLWHV͒8QLYHUVLW\RI'XLVEXUJ(VVHQ*HUPDQ\-DQXDU\-DQXDU\ . 6DWR ͒ FRPSXWDWLRQDO QDQRPHWHULDOV GHVLJQ DQG UHDOL]DWLRQ IRU VHPLFRQGXFWRU VSLQWURQLFVFRQWURORIGHIHFWDQGVSLQRGDOQDQR GHFRPSRVLWLRQ͒,QWHUQDWLRQDO6\PSRVLXP RQ1RQHUJRGLFEHKDYLRULQPDUWHQVLWHV͒8QLYHUVLW\RI'XLVEXUJ(VVHQ*HUPDQ\-DQXDU\ -DQXDU\ +LURVKL.DWD\DPD<RVLGD&RPSXWDWLRQDO1DQRPDWHULDOV'HVLJQIRU6SLQRGDO1DQRWHFKQRORJ\ DVD1HZ&ODVVRI%RWWRPXS1DQRWHFKQRORJ\'HVLJQYV5HDOL]DWLRQ͒7 7 06QG$118$/ 0((7,1*(;+,%,7,21͒6DQ$QWRQLR7H[DV86$0DUFK0DUFK 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 䠍䠊 ୰ᮧᜏኵ䚸䇾⾲㠃ศᴟຠᯝ䜢グ㏙䛩䜛ศᏊ䝰䝕䝹᪉ἲ䛾ᵓ⠏䛸Ỉ䠋㓟䝏䝍䞁⏺㠃䛾ศᏊືຊᏛ䛻䜘䜛 ࿘Ἴศග䝅䝭䝳䝺䞊䝅䝵䞁䇿䚸᪥ᮏ≀⌮Ꮫ➨䠒䠔ᅇᖺḟ䚸ᗈᓥ㻌 㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻞㻣 ᪥㻌 䠎䠊 ᑠすඃ♸䚸⚟ᓥ㕲ஓ䚸బ⸨๎䚸ὸ⨾༤䚸ྜྷ⏣༤㻚㻌 䇾䝘䝜ᵓ㐀䜢ᣢ䛴ྜ㔠䛻䛚䛡䜛ఏᑟ䝅䝭䝳䝺䞊䝅䝵 䞁䇿㻌 ᪥ᮏ≀⌮Ꮫ 㻞㻜㻝㻞 ᖺ⛅Ꮨ㻘㻌 ி㒔⏘ᴗᏛ㻘㻌㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻝㻌 䇵㻌 㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻠㻘㻌㻞㻜㻝㻞㻌 䠏䠊 ᑠすඃ♸䚸⚟ᓥ㕲ஓ䚸బ⸨๎䚸ྜྷ⏣༤䚸ὸ⨾༤㻚㻌 䇾ྜ㔠⣔⇕㟁ᮦᩱ䛻䛚䛡䜛䝣䜷䝜䞁⇕ఏᑟ䝅䝭䝳䝺 䞊䝅䝵䞁䇿㻌 ᪥ᮏ≀⌮Ꮫ➨ 㻢㻤 ᅇᖺḟ㻘㻌 ᗈᓥᏛᮾᗈᓥ䜻䝱䞁䝟䝇㻘㻌㻹㼍㼞㼏㼔㻌㻞㻢㻌 䇵㻌 㻹㼍㼞㼏㼔㻌㻞㻥㻘㻌㻞㻜㻝㻟㻌 䠐䠊 బ⸨๎㻖䠈㼂㼡㻌 㻺㼓㼡㼥㼑㼚㻌 㻰㼍㼚㼓䠈⸨㻌 ᑗ䠈⚟ᓥ㕲ஓ䠈ྜྷ⏣㻌 ༤㻌 䈊㻸㼕㼆㼚㻭㼟 䜢ẕయ䛸䛩䜛☢ᛶ༙ᑟయ䛾ィ⟬ᶵ 䝬䝔䝸䜰䝹䝕䝄䜲䞁䈊 㻞㻜㻝㻞 ᖺ㻌 ⛅Ꮨ㻌 ➨ 㻣㻟 ᅇᛂ⏝≀⌮ᏛᏛ⾡ㅮ₇㻌 䈊 ឡ Ꮫ㻘㻌 㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌 㻝㻝㻌 㻙㻌 㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻠㻘㻌㻞㻜㻝㻞㻌 䠑䠊 బ⸨๎㻖㻘㻌 ㇂㻌 ⩏ᨻ䠈ྜྷ⏣㻌 ༤㻌 䝘䝜ᵓ㐀ไᚚ䛻䜘䜛䜹䝹䝁䝟䜲䝷䜲䝖ᆺኴ㝧㟁ụᮦᩱ䛾ィ⟬ᶵ䝬䝔䝸䜰䝹 䝕䝄䜲䞁䈊㻞㻜㻝㻞 ᖺ㻌 ⛅Ꮨ㻌 ➨ 㻣㻟 ᅇᛂ⏝≀⌮ᏛᏛ⾡ㅮ₇㻌 䈊ឡᏛ㻘㻌㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻝㻌㻙㻌㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻠㻘㻌㻞㻜㻝㻞㻌 䠒䠊 す⏣㻌 ⩧㻖䠈⯞ᓥὒ⣖䠈୰す❶ᑛ䠈బ⸨๎䠈ྜྷ⏣㻌 ༤㻌 ➨୍ཎ⌮ィ⟬䜢⏝䛔䛯㟁Ꮚບ㉳䛻䜘䜛❅䝩䜴 ⣲䛾ᵓ㐀┦㌿⛣䛾䝅䝭䝳䝺䞊䝅䝵䞁䈊 㻞㻜㻝㻞 ᖺ㻌 ⛅Ꮨ㻌 ➨ 㻣㻟 ᅇᛂ⏝≀⌮ᏛᏛ⾡ㅮ₇㻌 䈊 ឡ Ꮫ㻘㻌 㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻝㻌㻙㻌㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻠㻘㻌㻞㻜㻝㻞㻌 䠓䠊 బ⸨๎㻖䠈ᢲ㇂ᫀ᐀䠈ྜྷ⏣㻌 ༤㻌 ⮬ᕫ⤌⧊䝘䝜ᵓ㐀䜢⏝䛔䛯 㻵㻵㻙㼂㻵 ᪘ྜ≀༙ᑟయ䝧䞊䝇ኴ㝧㟁ụᮦ ᩱ䛾ィ⟬ᶵ䝬䝔䝸䜰䝹䝕䝄䜲䞁䈊㻞㻜㻝㻞 ᖺ㻌 ⛅Ꮨ㻌 ➨ 㻣㻟 ᅇᛂ⏝≀⌮ᏛᏛ⾡ㅮ₇㻌 䈊ឡᏛ㻘㻌 㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌 㻝㻝㻌㻙㻌㻿㼑㼜㼠㼑㼙㼎㼑㼞㻌㻝㻠㻘㻌㻞㻜㻝㻞㻌 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 䠍㻚 㼅㼛㼟㼔㼕㼔㼕㼞㼛㻌 㻭㼟㼍㼕㻘㻌 㼀㼔㼑㼛㼞㼥㻌 㼛㼒㻌 㼦㼑㼞㼛㻙㼎㼕㼍㼟㻌 㼍㼚㼛㼙㼍㼘㼥㻌 㼕㼚㻌 㼘㼛㼣㻙㼠㼑㼙㼜㼑㼞㼍㼠㼡㼞㼑㻌 㼕㼚㼑㼘㼍㼟㼠㼕㼏㻌 㼠㼡㼚㼚㼑㼘㼕㼚㼓㻌 㼟㼜㼑㼏㼠㼞㼛㼟㼏㼛㼜㼥㻘㻌 㻭㻼㻿㻌 㻹㼍㼞㼏㼔㻌㻹㼑㼑㼠㼕㼚㼓㻌㻞㻜㻝㻟㻌䈊㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌㻹㼍㼞㼥㼘㼍㼚㼐㻘㻌㼁㻿㻭㻘㻌㻹㼍㼞㼏㼔㻌㻝㻤㻌㻙㻌㻹㼍㼞㼏㼔㻌㻞㻞㻘㻌㻞㻜㻝㻟㻌 䠎㻚 㻴㼕㼟㼍㼛㻌 㻺㼍㼗㼍㼙㼡㼞㼍㻘㻌 㼀㼍㼗㼍㼛㻚㻌 㻵㼟㼔㼕㼐㼍㻘㻌 㼍㼚㼐㻌 㼅㼛㼟㼔㼕㼔㼕㼞㼛㻌 㻭㼟㼍㼕㻌 䇾㻿㼡㼜㼑㼞㼕㼛㼞㻌 㻸㼛㼚㼓㻌 㼞㼍㼚㼓㼑㻌 㻱㼘㼑㼏㼠㼞㼕㼏㻌 㼀㼞㼍㼚㼟㼜㼛㼞㼠㻌 㼛㼒㻌 㻻㼞㼓㼍㼚㼛㼙㼑㼠㼍㼘㼘㼕㼏㻌 㼃㼕㼞㼑㻌 㼢㼕㼍㻌 㻿㼠㼑㼜㼜㼕㼚㼓㻌 㻿㼠㼛㼚㼑㻌 㼙㼑㼏㼔㼍㼚㼕㼟㼙㻌 㼍㼚㼐㻌 㻲㼕㼞㼟㼠㻌 㻼㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌 㻿㼠㼡㼐㼥㻌 㼛㼒㻌 㻸㼑㼚㼓㼠㼔㻌 㼐㼑㼜㼑㼚㼐㼑㼚㼏㼑㻌 㼛㼒㻌 㼀㼔㼑㼞㼙㼛㼑㼘㼑㼏㼠㼞㼕㼏㻌㻱㼒㼒㼑㼏㼠㼟䇿㻘㻌㻭㻼㻿㻌㻹㼍㼞㼏㼔㻌㻹㼑㼑㼠㼕㼚㼓㻘㻌㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌㼁㻿㻭㻘㻌㻞㻜㻝㻟㻛㻟㻛㻞㻞㻌 䠏㻚 㼀㼍㼗㼑㼔㼕㼐㼑㻌㻹㼕㼥㼍㼦㼍㼗㼕㻘㻌 㻌 㻴㼕㼟㼍㼛㻌㻺㼍㼗㼍㼙㼡㼞㼍㻘㻌 㻌 㻷㼑㼚㼓㼛㻌㻺㼕㼟㼔㼕㼛㻘㻌 㻌 㻴㼕㼟㼍㼟㼔㼕㻌㻿㼔㼕㼙㼍㻘㻌㻴㼕㼞㼛㼥㼡㼗㼕㻌㻭㼗㼕㼚㼍㼓㼍㻘㻌㼍㼚㼐㻌㼅㼛㼟㼔㼕㼔㼕㼞㼛㻌 㻭㼟㼍㼕㻘㻌㻱㼒㼒㼑㼏㼠㻌㼛㼒㻌㼙㼑㼠㼍㼘㼘㼕㼏㻌㼎㼡㼒㼒㼑㼞㻌㼍㼠㻌㼑㼘㼑㼏㼠㼞㼛㼐㼑㻙㼛㼤㼕㼐㼑㻌㼕㼚㼠㼑㼞㼒㼍㼏㼑㻌㼛㼚㻌㼏㼡㼞㼞㼑㼚㼠㻙㼢㼛㼘㼠㼍㼓㼑㻌㼏㼔㼍㼞㼍㼏㼠㼑㼞㼕㼟㼠㼕㼏㼟㻌㼛㼒㻌㼞㼑㼟㼕㼟㼠㼕㼢㼑㻌 㼞㼍㼚㼐㼛㼙㻌㼍㼏㼏㼑㼟㼟㻌㼙㼑㼙㼛㼞㼕㼑㼟㻌㻔㻾㼑㻾㻭㻹㼟㻕㻦㻌㻭㻌㼒㼕㼞㼟㼠㻙㼜㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌㼟㼠㼡㼐㼥㻘㻌㻭㻼㻿㻌㻹㼍㼞㼏㼔㻌㻹㼑㼑㼠㼕㼚㼓㻌㻞㻜㻝㻟㻌䈊㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌㻹㼍㼞㼥㼘㼍㼚㼐㻘㻌 㼁㻿㻭㻘㻌㻹㼍㼞㼏㼔㻌㻝㻤㻌㻙㻌㻹㼍㼞㼏㼔㻌㻞㻞㻘㻌㻞㻜㻝㻟㻌 䠐㻚 㼀㼍㼗㼑㼔㼕㼐㼑㻌㻹㼕㼥㼍㼦㼍㼗㼕㻘㻌㻴㼕㼟㼍㼛㻌㻺㼍㼗㼍㼙㼡㼞㼍㻘㻌㻷㼑㼚㼓㼛㻌㻺㼕㼟㼔㼕㼛㻘㻌㻴㼕㼟㼍㼟㼔㼕㻌㻿㼔㼕㼙㼍㻘㻌㻴㼕㼞㼛㼥㼡㼗㼕㻌㻭㼗㼕㼚㼍㼓㼍㻘㻌㼍㼚㼐㻌㼅㼛㼟㼔㼕㼔㼕㼞㼛㻌㻭㼟㼍㼕㻘㻌 䇾㻲㼕㼞㼟㼠㻙㻼㼞㼕㼚㼏㼕㼜㼘㼑㼟㻌 㻹㼛㼐㼑㼘㼕㼚㼓㻌 㼒㼛㼞㻌 㻯㼡㼞㼞㼑㼚㼠㻙㼂㼛㼘㼠㼍㼓㼑㻌 㻯㼔㼍㼞㼍㼏㼠㼑㼞㼕㼟㼠㼕㼏㼟㻌 㼛㼒㻌 㻾㼑㼟㼕㼟㼠㼕㼢㼑㻌 㻾㼍㼚㼐㼛㼙㻌 㻭㼏㼏㼑㼟㼟㻌 㻹㼑㼙㼛㼞㼕㼑㼟䇿㻘㻌 㻞㻜㻝㻟㻌㻹㻾㻿㻌㻿㼜㼞㼕㼚㼓㻌㻹㼑㼑㼠㼕㼚㼓㻌㻒㻌㻱㼤㼔㼕㼎㼕㼠㻘㻌㻿㼍㼚㻌㻲㼞㼍㼚㼏㼕㼟㼏㼛㻘㻌㼁㻿㻭㻘㻌㻞㻜㻝㻟㻛㻜㻠㻛㻜㻠㻚㻌 䠑㻚 㼅㼡㼟㼡㼗㼑㻌㻷㼛㼚㼕㼟㼔㼕㻘㻌㼀㼑㼠㼟㼡㼥㼍㻌㻲㼡㼗㼡㼟㼔㼕㼙㼍㻘㻌㻷㼍㼦㼡㼚㼛㼞㼕㻌㻿㼍㼠㼛㻘㻌㻴㼕㼞㼛㼟㼔㼕㻌㻷㼍㼠㼍㼥㼍㼙㼍㻙㼅㼛㼟㼔㼕㼐㼍㻘㻌㼅㼛㼟㼔㼕㼔㼕㼞㼛㻌㻭㼟㼍㼕㻚㻌㻿㼕㼙㼡㼘㼍㼠㼕㼛㼚㻌 㼛㼒㻌 㻺㼍㼚㼛㼟㼠㼞㼡㼏㼠㼡㼞㼑㻌 㼍㼚㼐㻌 㼀㼔㼑㼞㼙㼍㼘㻌 㻯㼛㼚㼐㼡㼏㼠㼕㼢㼕㼠㼥㻌 㼕㼚㻌 㻮㼕㼚㼍㼞㼥㻌 㻭㼘㼘㼛㼥㼟㻘㻌 㻭㻼㻿㻌 㻹㼍㼞㼏㼔㻌 㻹㼑㼑㼠㼕㼚㼓㻌 㻞㻜㻝㻟㻘㻌 㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌 69 添付資料 4 㻹㼍㼞㼥㼘㼍㼚㼐㻘㻌㼁㻿㻭㻘㻌㻹㼍㼞㼏㼔㻌㻝㻤㻌䇵㻌㻹㼍㼞㼏㼔㻌㻞㻞㻌㻞㻜㻝㻟㻌 䠒㻚 㻹㼍㼟㼍㼥㼛㼟㼔㼕㻌 㻿㼑㼕㼗㼑㻖㻚㻌 㻰㼑㼟㼕㼓㼚㻌 㼛㼒㻌 㻿㼑㼘㼒㻙㻻㼞㼓㼍㼚㼕㼦㼑㼐㻌 㻺㼍㼚㼛㼟㼠㼞㼡㼏㼠㼡㼞㼑㼟㻌 㼠㼛㻌 㻭㼏㼔㼕㼑㼢㼑㻌 㻴㼕㼓㼔㻌 㻮㼘㼛㼏㼗㼕㼚㼓㻌 㼀㼑㼙㼜㼑㼞㼍㼠㼡㼞㼑㼟㻌 㼕㼚㻌 㻹㼓㻻㻙㼎㼍㼟㼑㼐㻌㻐㼐㼊㻜㻐䈊㻝㻥㼠㼔㻌㻵㼚㼠㼑㼞㼚㼍㼠㼕㼛㼚㼍㼘㻌㻯㼛㼚㼒㼑㼞㼑㼚㼏㼑㻌㼛㼚㻌㻹㼍㼓㼚㼑㼠㼕㼟㼙㻌㻔㻵㻯㻹㻌㻞㻜㻝㻞㻕䈊㻮㼡㼟㼍㼚㻘㻌㻷㼛㼞㼑㼍㻘㻌㻶㼡㼘㼥㻌㻤㻌㻙㻌㻶㼡㼘㼥㻌㻝㻟㻘㻌 㻞㻜㻝㻞㻌 䠓㻚 㻺㼓㼡㼥㼑㼚㻌 㻰㼍㼚㼓㻌 㼂㼡㻘㻌 㻿㼍㼠㼛㻌 㻷㼍㼦㼡㼚㼛㼞㼕㻖㻘㻌 㻷㼍㼠㼍㼥㼍㼙㼍㻙㼅㼛㼟㼔㼕㼐㼍㻌 㻴㼕㼞㼛㼟㼔㼕㻚㻌 㻿㼑㼘㼒㻙㼛㼞㼓㼍㼚㼕㼦㼑㼐㻌 㻽㼡㼍㼟㼕㻙㼛㼚㼑㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㻺㼍㼚㼛㻙㼟㼠㼞㼡㼏㼠㼡㼞㼑㻌㼕㼚㻌㻯㼡㻙㻺㼕㻌㼍㼚㼐㻌㻲㼑㻙㻯㼡㻌㻭㼘㼘㼛㼥㼟䈊㻞㻜㻝㻞㻌㻹㻾㻿㻌㻿㼜㼞㼕㼚㼓㻌㻹㼑㼑㼠㼕㼚㼓䈊㻿㼍㼚㻌㻲㼞㼍㼚㼏㼕㼟㼏㼛㻘㻌㼁㻿㻭㻘㻌㻭㼜㼞㼕㼘㻌㻥㻌㻙㻌㻭㼜㼞㼕㼘㻌㻝㻟㻘㻌 㻞㻜㻝㻞㻌 䠔㻚 㻹㼍㼟㼍㼙㼡㼚㼑㻌 㻻㼟㼔㼕㼠㼍㼚㼕㻘㻌 㻴㼕㼞㼛㼟㼔㼕㻌 㻷㼍㼠㼍㼥㼍㼙㼍㻙㼅㼛㼟㼔㼕㼐㼍㻖㻘㻌 㻷㼍㼦㼡㼚㼛㼞㼕㻌 㻿㼍㼠㼛㻚㻌 䈊 㻿㼑㼘㼒㻙㻻㼞㼓㼍㼚㼕㼦㼑㼐㻌 㻯㼐㻔㼀㼑㻘㻿㻕㻌 㼍㼚㼐㻌 㻯㼐㻔㼀㼑㻘㻿㼑㻕㼀㼥㼜㼑㻌 㻵㻵㻌 㻺㼍㼚㼛㼣㼕㼞㼑㻌 㻔㻷㼛㼚㼎㼡㻙㼜㼔㼍㼟㼑㻕㻌 㼎㼥㻌 㼀㼣㼛㻙㼐㼕㼙㼑㼚㼟㼕㼛㼚㼍㼘㻌 㻿㼜㼕㼚㼛㼐㼍㼘㻌 㻺㼍㼚㼛㻙㼐㼑㼏㼛㼙㼜㼛㼟㼕㼠㼕㼛㼚㻌 㼒㼛㼞㻌 㻴㼕㼓㼔㻙㼑㼒㼒㼕㼏㼕㼑㼚㼏㼥㻌㻼㼔㼛㼠㼛㼢㼛㼘㼠㼍㼕㼏㻌㻿㼛㼘㼍㼞㻙㼏㼑㼘㼘㼟䈊㻞㻜㻝㻞㻌㻹㻾㻿㻌㻿㼜㼞㼕㼚㼓㻌㻹㼑㼑㼠㼕㼚㼓䈊㻿㼍㼚㻌㻲㼞㼍㼚㼏㼕㼟㼏㼛㻘㻌㼁㻿㻭㻘㻌㻭㼜㼞㼕㼘㻌㻥㻌㻙㻌㻭㼜㼞㼕㼘㻌㻝㻟㻘㻌 㻞㻜㻝㻞㻚㻌 䠕㻚 㻹㼍㼟㼍㼥㼛㼟㼔㼕㻌㻿㼑㼕㼗㼑㻖㻘㻌㼀㼑㼠㼟㼡㼥㼍㻌㻲㼡㼗㼡㼟㼔㼕㼙㼍㻘㻌㻷㼍㼦㼡㼚㼛㼞㼕㻌㻿㼍㼠㼛㻘㻌㻴㼕㼞㼛㼟㼔㼕㻌㻷㼍㼠㼍㼥㼍㼙㼍㻙㼅㼛㼟㼕㼐㼍㻘㻌䈊㻿㼑㼘㼒㻙㻻㼞㼓㼍㼚㼕㼦㼑㼐㻌㻰㼑㼒㼑㼏㼠㼟㻌㼛㼒㻌 㻴㼍㼘㼒㻙㻹㼑㼠㼍㼘㼘㼕㼏㻌㻺㼍㼚㼛㼣㼕㼞㼑㼟㻌㼕㼚㻌㻹㼓㻻㻙㻮㼍㼟㼑㼐㻌㻹㼍㼓㼚㼑㼠㼕㼏㻌㼀㼡㼚㼚㼑㼘㻌㻶㼡㼚㼏㼠㼕㼛㼚㼟䈊㻌 㻭㻼㻿㻌㻹㼍㼞㼏㼔㻌㻹㼑㼑㼠㼕㼚㼓㻌㻞㻜㻝㻟㻌䈊㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌 㻹㼍㼞㼥㼘㼍㼚㼐㻘㻌㼁㻿㻭㻘㻌㻹㼍㼞㼏㼔㻌㻝㻤㻌㻙㻌㻹㼍㼞㼏㼔㻌㻞㻞㻘㻌㻞㻜㻝㻟㻌 䠍䠌㻚㻴㼕㼠㼛㼟㼔㼕㻌 㻲㼡㼖㼕㼕㻖㻘㻌 㼀㼑㼠㼟㼡㼥㼍㻌 㻲㼡㼗㼡㼟㼔㼕㼙㼍㻘㻌 㻷㼍㼦㼡㼚㼛㼞㼕㻌 㻿㼍㼠㼛㻘㻌 㻴㼕㼞㼛㼟㼔㼕㻌 㻷㼍㼠㼍㼥㼍㼙㼍㻙㼅㼛㼟㼕㼐㼍㻘㻌 㻹㼍㼓㼚㼑㼠㼕㼟㼙㻌 㼛㼒㻌 㻵㼂㻙㼂㻵㻌 㼏㼛㼙㼜㼛㼡㼚㼐㻌㼎㼍㼟㼑㼐㻌㻰㻹㻿䈊㻭㻼㻿㻌㻹㼍㼞㼏㼔㻌㻹㼑㼑㼠㼕㼚㼓㻌㻞㻜㻝㻟㻌䈊㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌㻹㼍㼞㼥㼘㼍㼚㼐㻘㻌㼁㻿㻭㻘㻌㻹㼍㼞㼏㼔㻌㻝㻤㻌㻙㻌㻹㼍㼞㼏㼔㻌㻞㻞㻘㻌㻞㻜㻝㻟㻌 䠍䠍㻚㼂㼕㼢㼕㼍㼚㻌㼀㼞㼍㼚㻖㻘㻌㻹㼍㼟㼍㼥㼛㼟㼔㼕㻌㻿㼑㼕㼗㼑㻘㻌㼀㼑㼠㼟㼡㼥㼍㻌㻲㼡㼗㼡㼟㼔㼕㼙㼍㻘㻌㻷㼍㼦㼡㼚㼛㼞㼕㻌㻿㼍㼠㼛㻘㻌㻴㼕㼞㼛㼟㼔㼕㻌㻷㼍㼠㼍㼥㼍㼙㼍㻙㼅㼛㼟㼕㼐㼍㻚㻌䈊㻭㼏㼔㼕㼑㼢㼕㼚㼓㻌 㻾㼛㼛㼙㻙㼠㼑㼙㼜㼑㼞㼍㼠㼡㼞㼑㻌 㻲㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㼕㼟㼙㻌 㼕㼚㻌 㻺㻙㼐㼛㼜㼑㼐㻌 㼆㼚㻻㻌 㼣㼕㼠㼔㻌 㻵㼚㼔㼛㼙㼛㼓㼑㼚㼑㼕㼠㼥 㻌 䈊㻭㻼㻿㻌 㻹㼍㼞㼏㼔㻌 㻹㼑㼑㼠㼕㼚㼓㻌 㻞㻜㻝㻟㻌 䈊㻮㼍㼘㼠㼕㼙㼛㼞㼑㻘㻌㻹㼍㼞㼥㼘㼍㼚㼐㻘㻌㼁㻿㻭㻘㻌㻹㼍㼞㼏㼔㻌㻝㻤㻌㻙㻌㻹㼍㼞㼏㼔㻌㻞㻞㻘㻌㻞㻜㻝㻟㻌 㻌 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 70 添付資料 4 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 㻯㻹㻿㻵 ◊✲ㄢ㢟㻌 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲㻌 㒊ྡ䠖㻌 ➨䠐㒊㻌 ㄢ㢟ྡ䠖㻌 㔠ᒓ⣔ᵓ㐀ᮦᩱࡢ㧗ᛶ⬟ࡢࡓࡵࡢ࣐ࣝࢳࢫࢣ࣮ࣝ⤌⧊タィ࣭ホ౯ᡭἲࡢ㛤Ⓨ㻌 ㄢ㢟௦⾲⪅䠖㻌 㤶ᒣṇ᠇㻌 ᡤᒓ䠖㻌 ⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ㻌 䝴䝡䜻䝍䝇䜶䝛䝹䜼䞊◊✲㒊㛛㻌 [ㄽᩥ] Hideaki Sawada, Shunsuke Taniguchi, Kazuto Kawakami, Taisuke Ozaki, “First-principles study of interface structure and energy of Fe/NbC”, Modelling Simul. Mater. Sci. Eng. 2013 ᖺ 6 ᭶ฟ∧ணᐃ [⥲ㄝ䚸ゎㄝ] [ᏛⓎ⾲] 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅 㤶ᒣṇ᠇䚸⏣୰┿ᝅ䚸᳝ཎⰋ䚸▼ᶫ❶ྖ䚸䛂㔠ᒓ୰䛾⢏⏺䞉⏺㠃䛾➨୍ཎ⌮ゎᯒ䛃䚸᪥ᮏ㔠ᒓᏛ 2012 ⛅ ᮇ䚸2012 ᖺ 9 ᭶䚸ឡᏛ/ᯇᒣᕷ 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅 Vikas Sharma䚸㤶ᒣṇ᠇䚸⏣୰┿ᝅ䚸᳝ཎⰋ䚸▼ᶫ❶ྖ䚸䛂First-Principles Local Energy and Local Stress Study of bcc Fe/TiC Interfaces䛃䚸᪥ᮏ㔠ᒓᏛ 2012 ⛅ᮇ䚸2012 ᖺ 9 ᭶䚸ឡᏛ/ᯇᒣᕷ 㤶ᒣṇ᠇䚸⏣୰┿ᝅ䚸Somesh Bhattacharya䚸Vikas Sharma䚸Hao Wang䚸᳝ཎⰋ䚸▼ᶫ❶ྖ䚸䛂ᒁᡤ䜶 䝛䝹䜼䞊䞉ᒁᡤᛂຊ䛾➨୍ཎ⌮ゎᯒ䠖㔠ᒓ⢏⏺䜔␗┦⏺㠃䜈䛾㐺⏝䛃䚸᪥ᮏ≀⌮Ꮫ➨ 68 ᅇᖺḟ䚸 2013 ᖺ 3 ᭶䚸ᗈᓥᏛ/ᮾᗈᓥᕷ Vikas Shama 䚸 㤶 ᒣ ṇ ᠇ 䚸 ⏣ ୰ ┿ ᝅ 䚸 ᳝ ཎ Ⰻ 䚸 ▼ ᶫ ❶ ྖ 䚸 䛂 First-Principles Study of Fe/TiC Interfaces:Local-Stress and Local-Energy Distribution䛃䚸᪥ᮏ㔠ᒓᏛ 2013 ᖺᮇ䚸2013 ᖺ 3 ᭶䚸 ᮾி⌮⛉/ᮾி㒔 㻌 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅㻌 Hideaki Sawada, Shunsuke Taniguchi, Kazuto Kawakami, Taisuke Ozaki, “First-principles study of interface structure and energy of Fe/NbC”, IUMRS-International Conference on Electronic Materials (IUMRS-ICEM 2012), 2012/09, Yokohama/Japan 㤶 ᒣ ṇ ᠇ 䚸 ⏣ ୰ ┿ ᝅ 䚸 ⋤ ᪿ 䚸 Somesh Bhattacharya 䚸 Vikas Shama 䚸 ᳝ ཎ Ⰻ 䚸 ▼ ᶫ ❶ ྖ 䚸 “First-principles Local-energy and Local-stress Calculations of Grain Boundaries and Interfaces”, Materials Research Society 2012 Fall Meeting, 2012/11, Boston/USA 㤶ᒣṇ᠇䚸⏣୰┿ᝅ䚸Somesh Bhattacharya䚸Vikas Shama䚸⋤ᪿ䚸᳝ཎⰋ䚸▼ᶫ❶ྖ䚸“Ab Initio 71 添付資料 4 Local Energy and Local Stress in Materials Interfaces”, 1st ESISM Workshop on Fundamental Issues of Structural Materials, 2013/01, Kyoto/Japan 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹㻌 㻌 䠷ⴭస≀䠹㻌 㻌 㼇≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳㼉㻌 㻌 㼇ཷ㈹➼㼉㻌 72 添付資料 4 HPCI ᡓ␎䝥䝻䜾䝷䝮㻌 ศ㔝䠎㻌 CMSI ◊✲ㄢ㢟 ᖹᡂ䠎䠐ᖺᗘ㻌 እ㒊䜈䛾ᡂᯝⓎ⾲ 㒊ྡ䠖ᨭㄢ㢟 ㄢ㢟ྡ䠖䜹䝂䝯᱁Ꮚᙉ☢ᛶయ䛾ཝᐦᑐゅἲ䛻䜘䜛◊✲ ㄢ㢟௦⾲⪅䠖୰㔝༤⏕ ᡤᒓ䠖රᗜ┴❧ᏛᏛ㝔≀㉁⌮Ꮫ◊✲⛉ 䠷ㄽᩥ䠹 Makoto Isoda, Hiroki Nakano, and Toru Sakai, “A Consistent Description of Magnetic Properties of the Triangulated-Kagome System Cu9X2(cpa)6nH2O” Journal of the Physical Society of Japan Vol.81 pp.053703 (1-4) (2012) Tokuro Shimokawa and Hiroki Nakano, “Ferrimagnetism of the Heisenberg models on the quasi-one-dimensional kagome strip lattices” Journal of the Physical Society of Japan Vol. 81 pp.084710(1-8) (2012) Susumu Okubo, Tomonari Ueda, Hitoshi Ohta,Weimin Zhang, Takahiro Sakurai, Nozomi Onishi, Masaki Azuma, Yuichi Shimakawa, Hiroki Nakano, and Toru Sakai, “Dzyaloshinsky-Moriya Interaction and Field Induced Magnetic Order Phase in an Antiferromagnetic Honeycomb Lattice Compound Bi3Mn4O12(NO3) Studied by High-Field ESR” Phys. Rev. B Vol. 86 pp.140401(R)(1-4) (2012) Hiroki Nakano, Synge Todo, and Toru Sakai, “Long-Range Order of the Three-Sublattice Structure in the S = 1 Heisenberg Antiferromagnet on a Spatially Anisotropic Triangular Lattice” Journal of the Physical Society of Japan Vol.82 pp. 043715(1-5) (2013) 䠷⥲ㄝ䚸ゎㄝ䠹 ୰㔝༤⏕䚸⸨ᇽ┾䚸ᆏᚭ䚸”2 ḟඖ䝣䝷䝇䝖䝺䞊䝖⣔䛾ィ⟬⛉Ꮫⓗ◊✲” 䝇䞊䝟䞊䝁䞁䝢䝳䞊䝔䜱䞁䜾䝙䝳䞊 䝇 Vol.15 ≉㞟ྕ 1 pp.33-45 䠄2013 ᖺ 2 ᭶䠅 䠷ᏛⓎ⾲䠹 䞉ᣍᚅㅮ₇䠄ᅜෆ㆟䠅 䛺䛧 䞉ᣍᚅㅮ₇䠄ᅜ㝿㆟䠅 Hiroki Nakano, "Two-Dimensional Frustrated Antiferromagnets by Large-Scale Parallel Calculations of Numerical Diagonalizations", JAEA Synchrotron Radiation Research Symposium “Magnetism in Quantum Beam Science” 䠄2013 ᖺ 3 ᭶䠅 SPring8, Hyogo 䞉ཱྀ㢌Ⓨ⾲䠄ᅜෆ㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅 䛺䛧 䞉ཱྀ㢌Ⓨ⾲䠄ᅜ㝿㆟䛷ᰝㄞ䛾䛒䜛䜒䛾䠅 䛺䛧 䠷䝥䝺䝇䝸䝸䞊䝇䠋ྲྀᮦᑐᛂ䠹 䛺䛧 䠷ⴭస≀䠹㻌 䛺䛧 䠷≉チ➼䛾▱ⓗ㈈⏘ྲྀᚓ䛻㛵䛩䜛௳䠹㻌 䛺䛧 䠷ཷ㈹➼䠹㻌 䛺䛧 73 添付資料 5 ῧ㈨ᩱ㻌㻡㻌䜲䝧䞁䝖ሗ࿌᭩䚷䚷┠ḟ ሗ࿌᭩␒ྕ 䜲䝧䞁䝖ྡ 䝨䞊䝆 ሗ࿌᭩1 TCCI䜴䜱䞁䝍䞊䜹䝺䝑䝆䠉ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁 ➨6ᅇศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䝇䜽䞊䝹䠉ᇶ♏䛛䜙ᛂ⏝䜎䛷 1 ሗ࿌᭩2 TCCI䜴䜲䞁䝍䞊䜹䝺䝑䝆-㔞ᏊᏛ ➨2ᅇ㔞ᏊᏛ䜴䜲䞁䝍䞊䝇䜽䞊䝹䡚ᇶ♏⌮ㄽ䛸⏕య⣔䛾⌮ㄽ䡚 3 ሗ࿌᭩3 ➨2ᅇ㉸୪ิᢏ⾡ᅜ㝿䝽䞊䜽䝅䝵䝑䝥 5 ሗ࿌᭩4 䠫䠟䠰䠝ㅮ⩦䠃䝖䝺䞊䝙䞁䜾 7 ሗ࿌᭩5 ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ䠄CMRI) ➨䠍ᅇ䝅䞁䝫䝆䜴䝮 8 ሗ࿌᭩6 ISSP-CMSIᅜ㝿䝽䞊䜽䝅䝵䝑䝥MASP2012 11 ሗ࿌᭩7 ➨䠍㒊䛂᪂≀㉁᪂㔞Ꮚ┦䛾ᇶ♏⛉Ꮫ䛃 ኟ䛾Ꮫᰯ 14 ሗ࿌᭩8 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ(TCCI) ➨3ᅇ◊✲ 16 ሗ࿌᭩9 ➨䠍ᅇCMSIඖ⣲ᡓ␎䝅䞁䝫䝆䜴䝮 18 ሗ࿌᭩10 ィ⟬≀ᛶ⛉Ꮫ䝅䞁䝫䝆䜴䝮䠄SPring-8䚸J-PARC㐃ᦠ䠅 19 ሗ࿌᭩11 TCCI➨䠎ᅇᐇ㦂Ꮫ䛸䛾ὶ䝅䞁䝫䝆䜴䝮 21 ሗ࿌᭩12 ➨䠏ᅇCMSI ◊✲ - ㉸୪ิィ⟬䛜ᣅ䛟᪂䛧䛔ィ⟬≀㉁⛉Ꮫ 23 ሗ࿌᭩13 ≀ᛶඹྠ⏝䞉CCMS䞉ඖ⣲ᡓ␎ྜྠ◊✲ - ィ⟬≀ᛶ≀⌮Ꮫ䛾᪂ᒎ㛤 25 ሗ࿌᭩14 MPI䝥䝻䜾䝷䝭䞁䜾ㅮ⩦ 27 ሗ࿌᭩15 ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ䠄CMRI䠅 ➨2ᅇ䝅䞁䝫䝆䜴䝮 28 ሗ࿌᭩16 TCCI➨䠎ᅇ⏘Ꮫ㐃ᦠ䝅䞁䝫䝆䜴䝮 30 ሗ࿌᭩17 ➨䠐ᅇ⏘ᐁᏛ㐃⥆◊✲䚷- ⏘ᴗ⏺䛻䛚䛡䜛OCTAά⏝䛾⌧≧ 32 ሗ࿌᭩18 ➨䠑ᅇ⏘ᐁᏛ㐃⥆◊✲䚷- ཎᏊ䝇䜿䞊䝹䝅䝭䝳䝺䞊䝅䝵䞁䛛䜙TCAD䜈 33 ሗ࿌᭩19 ➨䠒ᅇ⏘ᐁᏛ㐃⥆◊✲ - ⇕䝬䝛䝆䝯䞁䝖ᢏ⾡䜢ᨭ䛘䜛ᮦᩱ䝅䝭䝳䝺䞊䝅䝵䞁 34 ሗ࿌᭩20 HPCIᡓ␎䝥䝻䜾䝷䝮䚷ศ㔝䠎 x ศ㔝䠑䚷␗ศ㔝ὶ◊✲ - 㔞Ꮚ䝰䞁䝔䜹䝹䝻ィ⟬ 36 ሗ࿌᭩21 ➨1ᅇRSC䠉CMSIྜྠ䝉䝭䝘䞊 䝬䝹䝏䝇䜿䞊䝹ᵓ㐀⛉Ꮫ䜢ᣅ䛟 37 ሗ࿌᭩22 ➨䠍ᅇ ィ⟬≀㉁⛉Ꮫ“ぢ䛘䜛”䝅䞁䝫䝆䜴䝮 ( TUT-CMSI ) 39 ሗ࿌᭩23 ➨䠍ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊䚷㔞Ꮚ䝇䝢䞁⣔䛾䝖䝢䝑䜽䝇 41 ሗ࿌᭩24 ➨䠍ᅇ CMSI 䛂ி䛃⏝ሗ 42 ሗ࿌᭩25 ➨䠎ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊䚷≀㉁୰䛾ᴟᏊ┦స⏝䛸䛭䛾つᶍ㧗㏿ィ⟬ 43 ሗ࿌᭩26 ➨䠏ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊䚷Real-Space DFT calculations on BlueGene/Q 44 ሗ࿌᭩27 45 ሗ࿌᭩28 ➨6ᅇ䚷ⱝᡭᢏ⾡ὶྜᐟ - ி⏝䛻ྥ䛡䛯ᢏ⾡䞉ሗ䛾ඹ᭷ ➨䠐ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊 2ḟඖ䝣䝷䝇䝖䝺䞊䝅䝵䞁⣔◊✲䛾⌧≧䛸ᑗ᮶䠖ᐇ㦂ᐙ䛾どⅬ䛛䜙ぢ䛯ᩘ್ィ⟬䜈䛾ᮇᚅ 47 ሗ࿌᭩29 ➨5ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊䚷ศᩘ㔞Ꮚ䝩䞊䝹≧ែ䜢グ㏙䛩䜛ཝᐦ䛻ゎ䛡䜛୍ḟඖ᱁Ꮚᶍᆺ 48 ሗ࿌᭩30 ➨6ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊䚷㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛䝝䝙䜹䝮᱁Ꮚ䝝䝞䞊䝗ᶍᆺ䛾つᶍᩘ್ 49 ሗ࿌᭩31 ➨7ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊䚷ALPS䝥䝻䝆䜵䜽䝖: ⌧≧䛸ᑗ᮶ 50 ሗ࿌᭩32 ➨8ᅇ䚷䛂ி䛃≀ᛶ䝉䝭䝘䞊䚷䛫䜣᩿ὶ䚸⣽⟶ὶ୰䛾㉥⾑⌫䚸⬡㉁䝧䝅䜽䝹䛾䝎䜲䝘䝭䜽䝇 51 ሗ࿌᭩33 ➨1ᅇCMSI⚄ᡞ䝝䞁䝈䜸䞁䚷FMOㅮ⩦ 52 ሗ࿌᭩34 ➨䠓ᅇ ⱝᡭᢏ⾡ὶྜᐟ - ி䛾ຠ⋡⏝䛾䛯䜑䛾ᢏ⾡⩦ᚓ䛸ඹ᭷ 53 ሗ࿌᭩35 ➨2ᅇCMSI⚄ᡞ䝝䞁䝈䜸䞁䚷ALPS䝏䝳䞊䝖䝸䜰䝹 55 ሗ࿌᭩36 GCOEศ㔝ᶓ᩿◊✲ - ከయ┦㛵䛾ᩘ್ゎἲ 56 添付資料 ５ ሗ࿌᭩ 㻝㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㼀㻯㻯㻵 䜴䜱䞁䝍䞊䜹䝺䝑䝆䠉ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁㻌 㻌 ➨ 㻢 ᅇศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䝇䜽䞊䝹㻌 䠉ᇶ♏䛛䜙ᛂ⏝䜎䛷㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻝㻣 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻞㻜㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥⛬䠖㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻝㻝 ᪥䠄ⅆ䠅䡚㻝㻞 ᭶ 㻝㻠 ᪥䠄㔠䠅㻌 ሙ䠖㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻞 㝵㻌 ᑠ㆟ᐊ㻌 ཧຍ㈝䠖㻌 ↓ᩱ㻌 ᠓ぶ䠖㻌 㻝㻞 ᭶ 㻝㻞 ᪥䠄Ỉ䠅㻝㻤䠖㻟㻜䡚⮬↛⛉Ꮫ◊✲ᶵᵓ㻌 ⫋ဨ㤋 㻝 㝵㻌 㣗ᇽ䝩䞊䝹㻌 㻌 ᠓ぶ㈝㻌 䠄୍⯡䠅㻡㻘㻜㻜㻜 䠋䠄Ꮫ⏕䠅㻠㻘㻜㻜㻜 㻌 ദ䠖㻌 ⮬↛⛉Ꮫ◊✲ᶵᵓ㻌 ศᏊ⛉Ꮫ◊✲ᡤ䚸㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ䠄㼀㻯㻯㻵䠅㻌 ඹദ䠖㻌 ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁◊✲䚸ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䠄㻯㻹㻿㻵䠅㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 㻝㻞 ᭶ 㻝㻝 ᪥䠄ⅆ䠅㻌 㻝㻟㻦㻜㻜㻙㻝㻟㻦㻠㻡㻌 ཷ㛤ጞ㻌 㻌 㻝㻟㻦㻠㻡㻙㻝㻠㻦㻜㻜㻌 㻌 㛤ᘧ㻌 ᵽΏಖ⛅ඛ⏕䠄㔠ἑᏛྡᩍᤵ䠅㻌 㻌 䛂䝅䝭䝳䝺䞊䝅䝵䞁䝇䜽䞊䝹䛻䛴䛔䛶䠄ᣵᣜ䠅䛃㻌 㻌 㻝㻠㻦㻜㻜㻙㻝㻡㻦㻟㻜㻌 㻌 ᯇᮏᘯඛ⏕㻔ி㒔Ꮫ㻕㻌 㻌 䛂䝅䝭䝳䝺䞊䝅䝵䞁䛾యീ䞉ᴫㄽ䛃㻌 㻌 㻝㻡㻦㻠㻜㻙㻝㻣㻦㻝㻜㻌 㻌 ྜྷ⠊⾜ඛ⏕䠄ྡྂᒇᏛ䠅㻌 㻌 䛂ຊᏛ䚸ゎᯒຊᏛ䚸ᩘ್ゎἲ䚸ᣊ᮰ືຊᏛ䛃㻌 㻌 㻝㻣㻦㻞㻜㻙㻝㻤㻦㻡㻜㻌 㻌 ᯇᯘఙᖾඛ⏕䠄ி㒔Ꮫ䠅㻌 㻌 䛂⤫ィ⇕ຊᏛ䛾ᴫせ䛃㻌 㻌 㻌 㻝㻞 ᭶ 㻝㻞 ᪥䠄Ỉ䠅㻌 㻥㻦㻜㻜㻙㻝㻜㻦㻟㻜㻌 㻌 ྂ▼㈗⿱ඛ⏕䠄⚟Ꮫ䠅㻌 㻌 䛂㻹㻰 ィ⟬䛾ゎᯒ䛃㻌 㻌 㻝㻜㻦㻠㻜㻙㻝㻞㻦㻝㻜㻌 㻌 ୕ୖ┈ᘯඛ⏕䠄⟃ἼᏛ䠅㻌 㻌 䛂ཎᏊ㛫䞉ศᏊ㛫┦స⏝䜶䝛䝹䜼䞊㛵ᩘ䛸㛗㊥㞳ຊィ⟬ἲ䛃㻌 㻌 㻌 㻝㻟㻦㻟㻜㻙㻝㻡㻦㻜㻜㻌 㻌 ዟᮧஂኈඛ⏕䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅㻌 㻌 䛂ྛ✀⤫ィ䜰䞁䝃䞁䝤䝹䛾⏕ᡂἲ䚸ᣑᙇ䜰䞁䝃䞁䝤䝹ἲ䛃㻌 㻌 㻝㻡㻦㻝㻜㻙㻝㻢㻦㻠㻜㻌 㻌 ᒸᓮ㐍ඛ⏕䠄ྡྂᒇᏛ䠅㻌 㻌 䛂ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䛻ᇶ䛵䛔䛯⮬⏤䜶䝛䝹䜼䞊ィ⟬䛃㻌 㻌 㻝㻢㻦㻡㻜㻙㻝㻤㻦㻞㻜㻌 㻌 㛗ᒸṇ㝯ඛ⏕䠄ྡྂᒇᏛ䠅㻌 㻌 䛂Ꮫᛂ䛸ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䇷Ẽ┦ᛂ䛛䜙⁐ᾮᏛᛂ䜈䇷䛃㻌 㻌 㻝㻤㻦㻟㻜㻙㻞㻜㻦㻟㻜㻌 㻌 ᠓ぶ㻌 㻌 㻌 㻝㻞 ᭶ 㻝㻟 ᪥䠄ᮌ䠅㻌 㻥㻦㻜㻜㻙㻝㻜㻦㻟㻜㻌 㻌 ⠛⏣΅ඛ⏕䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䠅㻌 㻌 䛂㝵ᒙⓗศᏊ䝰䝕䝹䛻䜘䜛䠩䠠㻌 㻙ཎᏊ䝰䝕䝹䜢ඖ䛻䛧䛯⢒どศᏊ䝰䝕䝹䛾ᵓ⠏㻙䛃㻌 㻌 㻝㻜㻦㻠㻜㻙㻝㻞㻦㻝㻜㻌 㻌 Ώ㎶ᐂᚿඛ⏕䠄ᮾிᏛ䠅㻌 1 添付資料 ５ 㻌 䛂▷㊥㞳ྂศᏊືຊᏛィ⟬䛾㧗㏿䛸つᶍ୪ิ䛃㻌 㻌 㻌 㻝㻟㻦㻟㻜㻙㻝㻡㻦㻜㻜㻌 㻌 Ὀᒸ㢧ඛ⏕䠄᠕⩏ሿᏛ䠅㻌 㻌 䛂᰾⏕ᡂ䞉┦㌿⛣䞉⏺㠃ᙇຊ䛾Ꮫ≀⌮䛃㻌 㻌 㻝㻡㻦㻝㻜㻙㻝㻢㻦㻠㻜㻌 㻌 ụཱྀ‶ᚨඛ⏕䠄ᶓᕷ❧Ꮫ䠅㻌 㻌 䛂⏕య⣔䛾ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䛃㻌 㻌 㻝㻢㻦㻡㻜㻙㻝㻤㻦㻞㻜㻌 㻌 ᕝୖᬛᩍඛ⏕䠄ᮾ䝺䞞䠅㻌 㻌 䛂㧗ศᏊᮦᩱタィ䛻䛚䛡䜛ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䇷㧗ศᏊ㟁ゎ㉁⭷䛾䜢୰ᚰ䛻䇷䛃㻌 㻌 㻌 㻝㻞 ᭶ 㻝㻠 ᪥䠄㔠䠅㻌 㻥㻦㻜㻜㻙㻝㻜㻦㻟㻜㻌 㻌 ୕ᾆఙ୍ඛ⏕䠄㔠ἑᏛ䠅㻌 㻌 䛂⤒㊰✚ศศᏊືຊᏛἲ䛃㻌 㻌 㻝㻜㻦㻠㻜㻙㻝㻞㻦㻝㻜㻌 㻌 ⏥㈡◊୍㑻ඛ⏕䠄ᒸᒣᏛ䠅㻌 㻌 䛂⁐ᾮ䞉⏺㠃䛾⤫ィຊᏛ䛸䝅䝭䝳䝺䞊䝅䝵䞁䛃㻌 㻌 㻝㻞㻦㻝㻜㻙㻝㻞㻦㻟㻜㻌 㻌 ಟ᭩ᤵ䛚䜘䜃㛢ᘧ㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 䛈㻠㻠㻠㻙㻤㻡㻤㻡㻌 㻌 ᒸᓮᕷ᫂ᑎ⏫す㒓୰ 㻟㻤㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬົᒁ㻌 㻱㻙㼙㼍㼕㼘㻦㻌㼠㼏㼏㼕㻙㼛㼒㼒㼕㼏㼑䠜㼥㼒㼑㼜㻞㻚㼕㼙㼟㻚㼍㼏㻚㼖㼜㻌 㻌 㻌 ௨ୖ㻌 2 添付資料 ５ ሗ࿌᭩ 㻞㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㼀㻯㻯㻵 䜴䜲䞁䝍䞊䜹䝺䝑䝆㻙㔞ᏊᏛ㻌 㻌 ➨ 㻞 ᅇ㔞ᏊᏛ䜴䜲䞁䝍䞊䝇䜽䞊䝹㻌 㻙ᇶ♏⌮ㄽ䛸⏕య⣔䛾⌮ㄽ㻙㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻝㻥 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻞㻝㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 㛤ദ᪥㻌 ᖹᡂ 㻞㻠 ᖺ 㻝㻞 ᭶ 㻝㻣 ᪥䠄᭶䠅䡚㻝㻤 ᪥䠄ⅆ䠅㻌 㻌 䠄᠓ぶ䠖㻝㻞 ᭶ 㻝㻣 ᪥䠄᭶䠅㻌 㻝㻤㻦㻜㻜䡚䚸ሙᡤ䠖ศᏊ⛉Ꮫ◊✲ᡤ㻌 ⫋ဨ㤋 㻝㻲䚸㈝䠖㻟㻘㻜㻜㻜 㻌 䠄Ꮫ⏕ 㻞㻘㻜㻜㻜 䠅䠅㻌 ሙ㻌 ᡤ㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻌 䠎㻲 ᑠ㆟ᐊ䠄ឡ▱┴ᒸᓮᕷ䠅㻌 㻌 㻌 ദ㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 㻌 ඹ㻌 ദ㻌 㼀㻯㻯㻵䚸㻯㻹㻿㻵䚸ィ⟬⛉Ꮫ◊✲ᶵᵓ䚸ィ⟬⛉Ꮫ◊✲䝉䞁䝍䞊㻌 㻌 ୡヰே㻌 Ụཎṇ༤䠄ศᏊ◊䞉ィ⟬䝉䠅䚸ᰗẎ䠄ศᏊ◊䠅䚸୰ᔱ㝯ே䠄ィ⟬⛉Ꮫ◊✲ᶵᵓ䠅䚸ኳ⬟⢭୍㑻䠄⚄ᡞᏛ䠅㻌 㻌 ཧຍ㈝㻌 ↓ᩱ㻌 㻌 㻌 㻌 䛆㛤ദ᪨䛇㻌 ㏆ᖺ䚸㧗⢭ᗘ䛺㟁Ꮚ≧ែ⌮ㄽ䛜㐍ᒎ䛧䚸ศගᏛⓗ⢭ᗘ䛾⢭⦓䛺⌮ㄽ◊✲䛜ྍ⬟䛸䛺䜚䜎䛧䛯䚹䜎䛯䚸つᶍ⣔䛾⌮ㄽ䛻䜘䛳䛶䚸 ⏕య⣔䛾㓝⣲ᛂ䜔ග㟁Ꮚ㐣⛬䛻䛴䛔䛶䜒䚸䛭䛾㉳※䜢᫂䜙䛛䛻䛩䜛◊✲䛜ྍ⬟䛸䛺䛳䛶䛔䜎䛩䚹䛭䛣䛷䚸ᅇ䛾䝇䜽䞊䝹䛷 䛿ᇶ♏⌮ㄽ䛸⏕య⣔䛾⌮ㄽ䛻↔Ⅼ䜢䛒䛶䚸㛵㐃䛩䜛㟁Ꮚ≧ែ⌮ㄽ䜢ᗈ䛟Ꮫ䜣䛷䛔䛯䛰䛡䜛ㅮ⩦䜢⏬䛧䜎䛧䛯䚹᭱ඛ➃䛾 ◊✲䜢⾜䛳䛶䛚䜙䜜䜛ඛ⏕᪉䜢ㅮᖌ䛸䛧䛶䛚ᣍ䛝䛧䚸ᇶ♏䛛䜙ศ䛛䜚䜔䛩䛟ゎㄝ䛧䛶䛔䛯䛰䛝䜎䛩䚹㻌 䜎䛯䚸ㅮᖌ㝕䛸䛾ពぢ䜔ὶ䜒䛷䛝䜛䜘䛖䛻䚸ཧຍ⪅䛻䜘䜛䝫䝇䝍䞊Ⓨ⾲䜒⏬䛧䜎䛧䛯䚹㟁Ꮚ≧ែ⌮ㄽ䜢ᚿ䛧䛶䛔䜛Ꮫ㒊 Ꮫ⏕䜔Ꮫ㝔Ꮫ⏕䚸ⱝᡭ◊✲⪅䚸ᐇ㦂◊✲⪅䛾᪉䚻䛺䛹䚸㟁Ꮚ≧ែ⌮ㄽ䛻⯆䜢ᣢ䛳䛶䛔䜛᪉䜢ᑐ㇟䛸䛧䛯䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻝㻣 ᪥䠄᭶䠅㻌 㻌 㻝㻟㻦㻟㻜㻌㻙㻌㻝㻟㻦㻠㻜㻌 䛿䛨䜑䛻㻌 ᓟᕘศᏊ◊ᡤ㛗㻌 㻌 㻌㻌㻌 ྖ䠖⚟⏣Ⰻ୍䠄ศᏊ◊䠅㻌 㻌 㻝㻟㻦㻠㻜㻌㻙㻌㻝㻡㻦㻟㻜㻌 㻌 㔜⏣⫱↷䠄㜰Ꮫ䠅㻌 䛂⏕యෆᏛᛂゎᯒ䛾ᇶ♏䛃㻌 㻌 㻝㻡㻦㻟㻜㻌㻙㻌㻝㻡㻦㻠㻜㻌 㻌 ఇ᠁㻌 㻌 㻝㻡㻦㻠㻜㻌㻙㻌㻝㻣㻦㻟㻜㻌 㻌 ୰㎷㻌 ༤䠄㔞ᏊᏛ◊✲༠◊✲ᡤ䠅㻌 䛂㔞ᏊᏛ䛾ᇶ♏⌮ㄽ䛸⏕≀Ꮫ䜈䛾ᛂ⏝⌮ㄽ䛃㻌 㻌 㻝㻤㻦㻜㻜㻌㻙㻌㻝㻥㻦㻟㻜㻌 㻌 ᠓ぶ㻌 㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻝㻤 ᪥䠄ⅆ䠅㻌 㻌 ྖ䠖ሯຬ㉳䠄⚄ᡞ䠅㻌 㻌 㻥㻦㻜㻜㻌㻙㻌㻝㻜㻦㻡㻜㻌 㻌 㛗㇂ᕝ῟ஓ䠄ᾏ㐨Ꮫ䠅㻌 䛂ගᶵ⬟ᛶ⏕యศᏊ䛾ບ㉳≧ែ䛻㛵䛩䜛㔞ᏊᏛ䛃㻌 㻌 㻝㻜㻦㻡㻜㻌㻙㻌㻝㻝㻦㻜㻜㻌 㻌 ఇ᠁㻌 㻌 㻝㻝㻦㻜㻜㻌㻙㻌㻝㻞㻦㻜㻜㻌 㻌 ཷㅮ⪅䛾◊✲Ⓨ⾲䠄㼜㼛㼟㼠㼑㼞䠅㻌 㻌 㻝㻞㻦㻜㻜㻌㻙㻌㻝㻟㻦㻟㻜㻌 㻌 㣗㻌 㻌 㻌 ྖ䠖す⿱ஓ䠄⚄ᡞ䠅㻌 㻌 㻝㻟㻦㻟㻜㻌㻙㻌㻝㻡㻦㻞㻜㻌 㻌 ྜྷ⃝୍ᡂ䠄ᕞᏛ䠅㻌 䛂つᶍ㔞ᏊᏛィ⟬䛻䜘䜛㔠ᒓ㓝⣲䛾ᵓ㐀䛸ᛂ䛾◊✲䛃㻌 㻌 㻌 㻝㻡㻦㻞㻜㻌㻙㻌㻝㻡㻦㻟㻜㻌 㻌 ఇ᠁㻌 㻌 㻌 㻝㻡㻦㻟㻜㻌㻙㻌㻝㻣㻦㻞㻜㻌 㻌 㔜భ㍤䠄ศᏊ⛉Ꮫ◊✲ᡤ䠅㻌 㻌 䛂᪂ẁ㝵䜢㏄䛘䜛ከཧ↷㟁Ꮚ≧ែ⌮ㄽ䡚ᐦᗘ⾜ิ⧞㎸䜏⩌䛸䛾⼥ྜ䜢୰ᚰ䛻䡚䛃㻌 㻌 㻌 㻝㻣㻦㻞㻜㻌㻙㻌㻝㻣㻦㻟㻜㻌 㻌 䛚䜟䜚䛻㻌 3 添付資料 ５ 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 䛈㻠㻠㻠㻙㻤㻡㻤㻡㻌 㻌 ᒸᓮᕷ᫂ᑎ⏫す㒓୰ 㻟㻤㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬົᒁ㻌 㻱㻙㼙㼍㼕㼘㻦㻌㼠㼏㼏㼕㻙㼛㼒㼒㼕㼏㼑䠜㼥㼒㼑㼜㻞㻚㼕㼙㼟㻚㼍㼏㻚㼖㼜㻌 㻌 ௨ୖ㻌 4 添付資料 ５ ሗ࿌᭩䠏 㓄ᕸඛ 㛵ಀྛ ➨䠎ᅇ㉸୪ิᢏ⾡ᅜ㝿䝽䞊䜽䝅䝵䝑䝥 సᡂ᪥㻌 2013 ᖺ 1 ᭶ 29 ᪥ No.㻌 CMSI-12-27 International Workshop on Massively Parallel Programming Now in Molecular సᡂ CMSI ົᒁ Science ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖㻌 2013 ᖺ 1 ᭶ 28 ᪥䠄᭶䠅10:20䡚16:10 ሙᡤ䠖㻌 ᪩✄⏣Ꮫす᪩✄⏣䜻䝱䞁䝟䝇 55 ྕ㤋 N Ჷ 1 㝵 ㆟ᐊ ཧຍ㈝䠖 ↓ᩱ ദ䠖 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤(CMSI)/ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ(TCCI) ᚋ䠖 ᪩✄⏣Ꮫ㧗➼◊✲ᡤ 䛆䝥䝻䜾䝷䝮䛇 [ International session chaired by ] 10:20-10:25 Opening remarks (TUT) Prof. Hideo Sekino 10:25-10:30 Opening remarks (Univ. of Tokyo/IMS) Prof. Kazuo Takatsuka 10:30-11:30 Algorithms and Software for Quantum Chemistry at Petascale and Beyond (ANL) Dr. Jeff Hammond 11:30-12:00 Parallel implementation of the fragment molecular orbital method in GAMESS (AIST) Dr. Dmitri G. Fedorov 12:00-13:30 lunch break [ Japan session chaired by ] 13:30-14:00 Divide-and-conquer quantum chemistry program in GAMESS:Implementation and application (Waseda Univ.) Dr. Masato Kobayashi 14:00-14:30 Performance improvement of FMO program for effective massively parallel execution on K-computer (Kyushu Univ.) Dr. Yuichi Inadomi 14:30-15:00 Development of massively parallel molecular dynamics simulation software including long-range Coulomb force calculation on K computer (Nagoya Univ.) Dr. Yoshimichi Ando 15:00 䠉 15:20 coffee break [ Discussion session chaired by Prof. Hideo Sekino (TUT) ] 15:20-16:00 Free Discussion 16:00-16:10 Closing remarks (TUT) Prof. Hideo Sekino 5 添付資料 ５ 䠘ᣍᚅㅮ₇⪅䠚 Dr. Jeff Hammond, Assistant Computational Scientist, ANL Dr. Dmitri G. Fedorov, ⏘⥲◊䝘䝜䝅䝇䝔䝮◊✲㒊㛛௵◊✲ဨ ᑠᯘṇே༤ኈ䚸᪩✄⏣Ꮫ㧗➼◊✲ᡤຓᩍ ✄ᐩ㞝୍༤ኈ䚸ᕞᏛሗᇶ┙◊✲㛤Ⓨ䝉䞁䝍䞊Ꮫ⾡◊✲ဨ(≉௵ᩍᤵ) Ᏻ⸨༤ኈ䚸ྡྂᒇᏛᏛ㝔ᕤᏛ◊✲⛉◊✲ဨ 䛆䛚ၥ䛔ྜ䜟䛫䛇 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬົᒁ 㟁ヰ䠖0564-55-7074䠄Ⓨಙ㡢䛾ᚋ䚸ᬻ䛟䛚ᚅ䛱䛟䛰䛥䛔䠅 Fax: 0564-54-2254(௦⾲), 0564-55-7074䠄Ⓨಙ㡢䛾ᚋ䠅53 E-mail: tcci-office䠜yfep2.ims.ac.jp ௨ୖ 6 添付資料 ５ ሗ࿌᭩䠐 㓄ᕸඛ సᡂ᪥㻌 2013 ᖺ 3 ᭶ 8 ᪥ No.㻌 CMSI-12-33 㛵ಀྛ 䠫䠟䠰䠝ㅮ⩦䠃䝖䝺䞊䝙䞁䜾 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥⛬䠖㻌 㻌 㻌 ᖹᡂ䠎䠑ᖺ䠏᭶䠓᪥䠄ᮌ䠅㻌 10:00䡚17:00 ሙ䠖㻌 㻌 㻌 (⊂)㻌 ⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ㻌 ⮫ᾏ㒔ᚰ䝉䞁䝍䞊 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝞䜲䜸䞉IT ⼥ྜ◊✲Ჷ䠄ู㤋䠅㻌 ㆟ᐊ 1 ཧຍ㈝䠖㻌 ↓ᩱ㻌 䠄ពぢཧຍ㈝䠖3000 䠅 ᐃဨ䠖㻌 㻌 㻌 䠑䠌ྡ ദ䠖㻌 㻌 㻌 ദᅋయ䠖ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䠄CMSI䠅䚸㻌 (⊂)⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ 䛆䝥䝻䜾䝷䝮䛇 10:00-10:05㻌 ᣵᣜ㻌 䠄ᮾ ᕝ ᖺὒ䠅 10:05-10:35㻌 OCTA 䛾ᴫせ㻌 䠄䠦䠯䠫䠨 ᑠἑ ᣅ䠅 10:35-11:20㻌 COGNAC 䛾ᶵ⬟䛸⤂㻌 䠄᪫ᡂ 㟷ᰗ ᓅྖ䠅 11:20-12:05㻌 SUSHI 䛾ᶵ⬟䛸⤂㻌 䠄᪥ᮏ䝊䜸䞁 ᮏ⏣ 㝯䠅 13:00-15:00㻌 OCTA 䝖䝺䞊䝙䞁䜾 1㻌 䠄䠦䠯䠫䠨 ᑠἑ ᣅ䠅 15:00-15:15㻌 ఇ᠁ 15:15-16:30㻌 OCTA 䝖䝺䞊䝙䞁䜾 2㻌 䠄䠦䠯䠫䠨 ᑠἑ ᣅ䠅 16:30-17:00㻌 ⥲ྜ㉁ᛂ⟅ 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 7 添付資料 ５ ሗ࿌᭩䠑㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ㻔㻯㻹㻾㻵㻕㻌 㻌 ➨䠍ᅇ䝅䞁䝫䝆䜴䝮㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻤 ᭶ 㻝㻜 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻜㻣㻌 㻌 㻌 㻌 సᡂ㻌 㻯㻹㻾㻵 ົᒁ㻌 㛛⬥㻌 㻌 䛆㛤ദ䛇㻌 ᪥⛬䠖ᖹᡂ 㻞㻠 ᖺ 㻢 ᭶ 㻝㻤 ᪥䠄᭶䠅䚸㻢 ᭶ 㻝㻥 ᪥䠄ⅆ䠅㻌 ሙᡤ䠖ᮾᏛ㻌 㔠ᒓᮦᩱ◊✲ᡤ㻌 㻞 ྕ㤋ㅮᇽ㻌 ཧຍ㈝䠖㻌 ↓ᩱ㻌 䠄㻝㻤 ᪥㻌 ᠓ぶ㻌 䈜ཧຍ㈝㻌 㻠㻜㻜㻜 䠅㻌 㻌 㻌 䛆ᴫせ䛇㻌 ᮦᩱㄢ㢟䛜㔜Ⅼ䛥䜜䛶䛛䜙ึ䛾◊✲䛷䛒䜚䚸㔜Ⅼㄢ㢟䛾㐙⾜䛾Ⅽ䛾ලయⓗ䛺᪉⟇䛾᳨ウ䛸䚸≉ูᨭㄢ㢟䛾タ⨨䛻ྥ䛡 䛶ೃ⿵ㄢ㢟䛾㑅ᐃ䛻↔Ⅼ䜢⨨䛔䛯䝅䞁䝫䝆䜴䝮䜢㛤ദ䛧䛯䚹ᮦᩱ⛉Ꮫ㛵㐃⪅䜢య䛸䛩䜛䛣䜜䜎䛷䜘䜚䜒ᑠつᶍ䛺䝅䞁䝫䝆䜴䝮 䛷䛒䛳䛯䛜ෆᐜ䛿ᴟ䜑䛶ᐦ䛷䛒䛳䛯䚹ཪ䚸㻯㻾㻱㻿㼀㻘㻌 㻶㻿㼀㻘㻌 ᪂Ꮫ⾡㡿ᇦ䚸䛥䜙䛻䛿᪂ඖ⣲ᡓ␎䛷ィ⟬ᮦᩱ⛉Ꮫ䛾䝥䝻䝆䜵䜽䝖䛜ጞ 䜎䛳䛶䛚䜚䚸ᚋ䛾㐃ᦠ䛻ྥ䛡䛯ሗ䛾Ⅽ䛾Ⓨ⾲䜢⾜䛳䛯䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 6 ᭶ 18 ᪥㸦᭶㸧 10㸸30 ࠕ㛤࠶ࡓࡗ࡚ࠖẟ ဴኵ ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ㸦CMRI㸧ᣐⅬ㛗 ࠙㔜Ⅼㄢ㢟ࠚྖ ᯇᐑ ᚭ 10㸸45 㔜Ⅼㄢ㢟ࡢ overview ࠕ㔠ᒓ୰ࡢ⢏⏺࣭⏺㠃ࡢ➨୍ཎ⌮ィ⟬㸸ຊᏛ≉ᛶࡢゎ᫂ྥࡅ࡚ࠖ 㤶ᒣ ṇ᠇ ⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ 11㸸15 ࠕOpenMX ࡼࡿ࣮࢜ࢲ࣮N ㉸୪ิ➨୍ཎ⌮ィ⟬ࡢ⌧≧ᒎᮃࠖ ᑿᓮ Ὀຓ 㝣ඛ➃⛉Ꮫᢏ⾡Ꮫ㝔Ꮫ 11㸸55 ࠕFe/NbC ࡢᵓ㐀࢚ࢿࣝࢠ࣮ࡢ➨୍ཎ⌮ィ⟬ࠖ ⃝⏣ ⱥ᫂ ᪂᪥ᮏ〇㚩ओ 12㸸25 㸨㸨㸨㸨㸨 㣗 㸨㸨㸨㸨㸨 13㸸30 ࠕ➨୍ཎ⌮ィ⟬ࡼࡿ⢏⏺⬤ࡢ◊✲㸸㕲ࡢ↝ᡠࡋ⬤ᛶỈ⣲⬤ᛶࠖ ᒣཱྀ ṇ๛ ᪥ᮏཎᏊຊ◊✲㛤Ⓨᶵᵓ㸦JAEA) ࠙≉ูᨭㄢ㢟ࡢᵓ⠏ྥࡅ࡚ ,ࠚ ྖ ᑿ᪉ ᡂಙ 14㸸00 ≉ูᨭㄢ㢟ࡢᵓ⠏ྥࡅ࡚ ࠕ⏺㠃ࡢ➨୍ཎ⌮ィ⟬ࡽࣇ࢙࣮ࢬࣇ࣮ࣝࢻἲࡢ࣐ࢵࣆࣥࢢࡘ࠸࡚ࠖ 㔝࠾ࡿ ᶓᅜ❧Ꮫ Ꮫ㝔ᕤᏛ◊✲㝔 14㸸30 ࠕจᅛ⤌⧊ࡢ㧗⢭ᗘ࣭つᶍィ⟬ࢆ┠ᣦࡋࡓࣇ࢙࣮ࢬࣇ࣮ࣝࢻ࣭ࣔࢹࣜࣥࢢࠖ 㔝 ᐀୍ ᾏ㐨Ꮫ Ꮫ㝔ᕤᏛ◊✲㝔 ࠕࢫࣃࢥࣥ TSUBAME2.0 ࡼࡿࢹࣥࢻࣛࢺจᅛᡂ㛗ࡢ㉸つᶍィ⟬ࠖ 㧗ᮌ ▱ᘯ ி㒔ᕤⱁ⧄⥔Ꮫ Ꮫ㝔ᕤⱁ⛉Ꮫ◊✲⛉ 8 添付資料 ５ ࠕつᶍศᏊືຊᏛἲࡼࡿจᅛ㐣⛬ࡢᅛᾮ⏺㠃ᣲືゎᯒ㧗 ≀ᛶ್ᑟฟࠖ ⏣ 㟹 ᮾிᏛ Ꮫ㝔ᕤᏛ⣔◊✲⛉ 15㸸30 㸨㸨㸨㸨㸨 ࢥ࣮ࣄ࣮ࣈ࣮ࣞࢡ 㸨㸨㸨㸨㸨 ࠙ᮦᩱ⛉Ꮫࡢᆺࣉࣟࢪ࢙ࢡࢺࡢ㐃ᦠ ,ࠚ ྖ ⏣୰ ຌ 16㸸00 ⛉◊㈝࣭᪂Ꮫ⾡㡿ᇦࣉࣟࢪ࢙ࢡࢺࠕࣂࣝࢡࢼࣀ࣓ࢱࣝ ࣮ᖖ㆑ࢆそࡍ᪂ࡋ࠸ᵓ㐀ᮦᩱࡢ⛉Ꮫࠖࡢ⤂ ㎷ ఙὈ ி㒔Ꮫ Ꮫ㝔ᕤᏛ◊✲⛉ ࠙≉ูᨭㄢ㢟ࡢᵓ⠏ྥࡅ࡚ ,,ࠚ ྖ 㔝 ࠾ࡿ 16㸸30 ࠕ≀㉁୰ࡢᴟᏊ┦స⏝ࡑࡢつᶍ㧗㏿ィ⟬ࠥᙉㄏ㟁య࣓ࣔࣜࡸᙉຊ☢▼ࡢࢩ࣑࣮ࣗࣞࢩࣙࣥࠥࠖ すᯇ Ẏ ᮾᏛ 㔠ᒓᮦᩱ◊✲ᡤ ࠕ㉸つᶍ➨୍ཎ⌮ィ⟬ࡼࡿࣁࢻ࣮ࣞࢺࢆ⏝࠸ࡓ᪂つ࢞ࢫ㈓ⶶᮦᩱࡢホ౯ࠖ Ỉ㛵 ༤ᚿ ᮾᏛ 㔠ᒓᮦᩱ◊✲ᡤ ࠕ㟁Ꮚΰྜᇶᗏἲࣉࣟࢢ࣒ࣛ TOMBO ࡼࡿỈ⣲㈓ⶶᮦᩱ㛤Ⓨࠖ బཎ ு ᮾᏛ 㔠ᒓᮦᩱ◊✲ᡤ 17㸸30 ࠕFe-Si ඖྜ㔠⣔ࡢຊᏛ⇕ຊᏛ≉ᛶࡢ➨୍ཎ⌮ィ⟬ࠖ 㝞 ㏄ ᮾᏛᕤᏛ◊✲⛉ ࠕ➨୍ཎ⌮ィ⟬ᡭἲࢆ⏝࠸ࡓࢼࣀᮦᩱ⏺㠃ࡢᶵ⬟≉ᛶࡢ◊✲ࠖ ⏣୰ ┿ᝅ ⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ ࠙ᖹᡂ ᖺᗘ &05, ⱝᡭᾏእὴ㐵ሗ࿌ࠚ ྖ ẟ ဴኵ 18㸸20 ࠕ1 ḟඖࣆ࣮ࢼࢵࢶᆺࣇ࣮࣏࣐࣮ࣛࣞࣥࣜࡢィ⟬⛉Ꮫࢩ࣑࣮ࣗࣞࢩࣙࣥࠖ 㔝⏣ ♸㍜ ᶓᅜ❧Ꮫ Ꮫ㝔ᕤᏛᗓ 19㸸00 㸨㸨㸨 ᠓ぶ㸦࣍ࢸ࢚ࣝ࣋ࣝ㸧 㸨㸨㸨 6 ᭶ 19 ᪥㸦ⅆ㸧 ࠙≉ูᨭㄢ㢟ࡢᵓ⠏ྥࡅ࡚ ,,,ࠚ ྖ ẟ ဴኵ 9㸸35 ࠕLa-Ni ⣔Ỉ⣲྾ⶶྜ㔠୰ࡢ✵Ꮝᙧᡂ㛵ࡍࡿ⌮ㄽィ⟬ࠖ Ỉ㔝 ṇ㝯 㜰ᏛᏛ㝔ᕤᏛ◊✲⛉ ࠕ㕲ᇶྜ㔠࠾ࡅࡿ⤖ᬗ☢Ẽ␗᪉ᛶ࢚ࢿࣝࢠ࣮ࡢ➨୍ཎ⌮ィ⟬ࠖ ᴮᮌ ᚨ ᕞᕤᴗᏛ࣐ࢸࣜࣝᕤᏛ⛉ ࠙≉ูㅮ₇ࠚ ྖ ᕝῧ Ⰻᖾ 10㸸35 ࠕ⏺㠃ࡢ㐠ືࢆゎᯒࡍࡿᩘᏛⓗᡭἲࠖ ሯ ᓅ ⩌㤿Ꮫ Ꮫ㝔ᕤᏛ◊✲⛉ ࠙ᮦᩱ⛉Ꮫࡢᆺࣉࣟࢪ࢙ࢡࢺࡢ㐃ᦠ ,,ࠚ ྖ 㤶ᒣ ṇ᠇ 11㸸20 JST-CREST ◊✲ࠕ㍍ඖ⣲ᡓ␎ᇶ࡙ࡃ㕲㗰ᮦᩱࡢ࣐ࣝࢳࢫࢣ࣮ࣝタィཎ⌮ࡢฟࠖࡢ⤂ ྂཎ ᛅ ᮾᏛ 㔠ᒓᮦᩱ◊✲ᡤ 9 添付資料 ５ 12㸸00 㸨㸨㸨㸨㸨 㣗 㸨㸨㸨㸨㸨 12㸸45 ࠕ ➨୍ཎ⌮ィ⟬ᇶ࡙ࡃ㔠ᒓ⤖ᬗࡢ┦㌿⛣⤒㊰ࠖ ⏣୰ ຌ ி㒔Ꮫ Ꮫ㝔ᕤᏛ◊✲⛉ 13㸸15 ࠕࣁ࣑ࣝࢺࢽࣥࡽࡢᮦᩱᙉᗘタィࠖィ⟬ᮦᩱ⛉Ꮫ ẟ ဴኵ ᾏ㐨Ꮫ Ꮫ㝔ᕤᏛ◊✲㝔㸭ᮾᏛ 㔠ᒓᮦᩱ◊✲ᡤ 13㸸45 ࠕᆺࣉࣟࢪ࢙ࢡࢺ࡛ࢩ࣑࣮ࣗࣞࢩࣙࣥィ⟬ᮇᚅࡉࢀࡿࡇࠖ ᕝῧ Ⰻᖾ ᮾᏛᮍ᮶⛉Ꮫᢏ⾡ඹྠ◊✲ࢭࣥࢱ࣮ 㻌 䛆᪑㈝䛇㻌 ᪑㈝䛿䚸㻯㻹㻾㻵 㛵ಀ⪅䛻ᑐ䛧ண⟬䛾⠊ᅖෆ䛷ຓ䛧䛯䚹㻌 㻌㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻾㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼏㼙㼞㼕㻬㼕㼙㼞㻚㼠㼛㼔㼛㼗㼡㻚㼍㼏㻚㼖㼜㻌 㻌 ദ䠖ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ䠄㻯㻹㻾㻵䠅㻌 ௨ୖ㻌 10 添付資料 ５ 㓄ᕸඛ ሗ࿌᭩䠒 㛵ಀྛ సᡂ᪥㻌 2012 ᖺ 7 ᭶ 15 ᪥ No.㻌 CMSI-12-08 MAterial Simulation in Petaflops era సᡂ CMSI ົᒁ (MASP2012) ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 䠘䝽䞊䜽䝅䝵䝑䝥䠚 2012 ᖺ 6 ᭶ 25 ᪥(᭶)䡚7 ᭶ 1 ᪥(᪥)䚸7 ᭶ 3 ᪥䠄ⅆ䠅䡚11 ᪥䠄Ỉ䠅 䠘䝅䞁䝫䝆䜴䝮䠚 2012 ᖺ 7 ᭶ 2 ᪥(᭶)䚸7 ᭶ 12 ᪥䠄ᮌ䠅䡚13 ᪥䠄㔠䠅 ͤ᠓ぶ䠖 7 ᭶ 2 ᪥䠄᭶䠅䚸7 ᭶ 12 ᪥䠄ᮌ䠅 ሙ䠖 䠘䝽䞊䜽䝅䝵䝑䝥䠚 ᮾ≀ᛶ◊㻌 䝉䝭䝘䞊䝹䞊䝮 A615 䠘䝅䞁䝫䝆䜴䝮䠚 ᮾ≀ᛶ◊䠒F ㅮ⩏ᐊ ͤ᠓ぶ䠖 ᯽䜻䝱䞁䝟䝇 䜹䝣䜵䝔䝸䜰 ཧຍ㈝䠖㻌 ↓ᩱ (᠓ぶཧຍ㈝ 4,000 ) 䛆䝥䝻䜾䝷䝮䛇 䠘䝽䞊䜽䝅䝵䝑䝥㻌 10:00-11:30, 14:00-15:30䠚 ㅮ₇⪅䠖 Yasutami Takada (ISSP) Jun-ya Hasegawa (Kyoto University) Lubos Mitas (North Carolina State University) Hardy Gross (Max Planck Institute of Microstructure Physics) Kazuhiro Yabana (University of Tsukuba) Andrea Marini (National Research Council) Michael Rohlfing (University of Osnabruck) O. Anatole von Lilienfeld (Argonne National Laboratory) John Dobson (Griffith University) Minoru Otani (National Institute of Advanced Industrial Science and Technology) Tadashi Ogitsu (Lawrence Livermore National Laboratory) Marc Koper (Leiden University) Yoshitaka Tateyama (National Institute for Materials Science) Michiel Sprik (University of Cambridge) Junichiro Shiomi (The University of Tokyo) Takahiro Yamamoto (Tokyo University of Science) Massimiliano Di Ventra (University of California) Hisao Nakamura (National Institute of Advanced Industrial Science and Technology) Joost VandeVondele (Eidgenössische Technische Hochschule Zürich) Mårten Björketun (Technical University of Denmark) Ryosuke Jinnouchi (TOYOTA Central R&D lab., Inc) Francois Gygi (University of California) Taisuke Ozaki (Japan Advanced Institute of Science and Technology) 䠘䝅䞁䝫䝆䜴䝮㻌 7 ᭶ 2 ᪥䠚 Theme: excited state, superconductivity, and quantum monte carlo 9:30 L. Mitas㻌 (North Carolina State University) 11 添付資料 ５ Spins as quantum variables in electronic structure quantum Monte Carlo calculations 10:00 I. Solovyev㻌 (National Institute for Materials Science) 10:30 H. Gross㻌 (Max Planck Institute for Materials Physics) Magnetic inversion symmetry breaking and ferroelectric activity in perovskite manganese oxides Reduced-density-matrix functional theory of weakly and strongly correlated systems 11:00 R. Arita㻌 (The University of Tokyo) High-temperature Superconductivity in Layered Nitrides: Insights from Density-functional Theory for Superconductors 11:30 S. Shin㻌 (ISSP) Laser-ARPES study on Fe-pnictide superconductors LUNCH 13:30 C. Hu㻌 (Tokyo University of Science) Nonadiabatic couplings from time-dependent density functional theory: Progress and challenges 14:00 K. Nobusada㻌 (Institute for Molecular Science) Near-Field Excitation Dynamics in Nanostructures: Nonuniform and Self-Consistent Light Matter Interaction 14:30 K. Misawa㻌 (Tokyo University of Agriculture and Technology) Vibrational wave-packet control in cyamine dye molecules 15:00 T. Tahara㻌 (RIKEN) Nuclear dynamics of reacting molecules studied by ultrafast spectroscopy with 10-fs pulses 15:30 BREAK 16:00 M. Rohlfing㻌 (University of Osnabruck) Many-body perturbation theory: from molecular adsorbates to paired nanotubes 16:30 A. Marini㻌 (National Research Council) Excitonic collapse in solids driven out-of-equilibrium by ultra-strong laser pulses 17:00 Y. Noguchi㻌 (ISSP) Massively parallel all-electron GW+Bethe-Salpeter calculations: development and application 17:30 K. Yamauchi㻌 (Osaka University) Charge-order-induced multiferroicity in transition-metal oxides 18:00 Banquet 䠘䝅䞁䝫䝆䜴䝮㻌 7 ᭶ 12 ᪥䠚 Theme: dissipation, van der Waals interaction, and interface 13:00 M. Di Ventra㻌 (University of California) Stochastic Time-Dependent Current-DFT: a functional theory of open quantum systems 13:30 K. Ando㻌 (Kyoto University) Electron transfer pathway analysis in large biomolecules 14:00 Y. Gohda㻌 (The University of Tokyo) First-principles interface science: Structures and electronic states 14:30 H. Katayama-Yoshida㻌 (Osaka University) Computational Nano-Materials Design of High-Efficiency Photovoltaic Solar Cells in Cu(In,Ga)Se2 and Cu2ZnSn(Se,S)4 by Two-dimensional Spinodal Nano-decomposition: Beyond-LDA and Multi-scale Simulation 15:00 BREAK 12 添付資料 ５ 15:30 J. Dobson㻌 (Griffith University) Some 5th rung correlation energy functionals 16:00 O. Anatole von Lilienfeld (Argonne National Laboratory) Fast and accurate modeling of interatomic energies with machine learning 16:30 T. Ono (Osaka University) 17:00 POSTER Session 18:00 Banquet First-principles study on transport properties of carbon based nano-systems 䠘䝅䞁䝫䝆䜴䝮㻌 7 ᭶ 13 ᪥䠚 Theme: interface and large scale simulation 9:40 M. Sprik (University of Cambridge) Density functional theory modelling of transition metal oxide-water interfaces 10:10 M. Bjorketun (Technical University of Denmark) Atomic-scale modeling of the electrochemical interface 10:40 T. Ogitsu (Lawrence Livermore National Laboratory) Improving performance of electrochemical devices: How can ab-initio simulations help? 11:10 BREAK 11:30 F. Gygi (University of California) Acceleration of Hartree-Fock and Hybrid Density Functional Simulations using Recursive Subspace Bisection 12:00 J. Iwata (The University of Tokyo) Real-space grid density functional theory calculations 12:30 I. Hamada (Tohoku University) Van der Waals density functional applied to adsorption systems 䛆䛚ၥ䛔ྜ䜟䛫䛇 CMSI ົᒁ email: [email protected] TEL: 04-7136-3279 ௨ୖ 13 添付資料 ５ ሗ࿌᭩䠓㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ➨䠍㒊䛂᪂≀㉁᪂㔞Ꮚ┦䛾ᇶ♏⛉Ꮫ䛃㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻤 ᭶ 㻞㻣 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻝㻝㻌 ኟ䛾Ꮫᰯ㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥㻌 㻌 䠖㻌 㻞㻜㻝㻞 ᖺ 㻤 ᭶ 㻞㻜 ᪥䠄᭶䠅䡚㻞㻡 ᪥䠄ᅵ䠅㻌 㻌 㻌 㻌 ሙ䠖㻌 䝍䜹䝭䝲䝡䝺䝑䝆䝩䝔䝹ᶞᯘ㻌 䠄ᒣᙧ┴ⶶ⋤䠅㻌 㻌 ᐟἩ㈝䠖㻌 䠍Ἡ㻌 㻝㻝㻘㻜㻜㻜 㻌 䠄㻟 㣗䚸㻞䡚㻟 ே㒊ᒇ⏝䛾ሙྜ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻝㻟㻘㻜㻜㻜 㻌 䠄㻟 㣗䚸㻝 ே㒊ᒇ⏝䛾ሙྜ䠅㻌 ᐃဨ䠖㻌 㻌 㻌 㻌 㻡㻜 ྡ㻌 㻌 䛆㛤ദ᪨䛇㻌 䛣䛾ኟ䛾Ꮫᰯ䛿䚸䠟䠩䠯䠥➨䠍㒊䛾◊✲䝔䞊䝬᪂㔞Ꮚ┦䞉᪂≀㉁䛾ᇶ♏⛉Ꮫ䜢୰ᚰ䛸䛧䛶䚸᪂䛯䛺◊✲ᡭἲ䛾㛤Ⓨ䜔䚸䛭䛣䛛 䜙ᚓ䜙䜜䜛≀⌮䜔Ꮫ䛻䛴䛔䛶ศ㔝䜢㉸䛘䛶ὶ䜢῝䜑䚸ᚋ䛾◊✲䛻㈨䛩䜛䛯䜑䛻䚸≉䛻ᖺ㱋ไ㝈䛿タ䛡䜎䛫䜣䛜䚸ⱝᡭ 䠄䛸⮬ぬ䛩䜛䠅◊✲⪅䜢୰ᚰ䛻ᐷ㣗䜢ඹ䛻䛧䛶䚸✺䛳㎸䜣䛰㆟ㄽ䜢⾜䛺䛖䛯䜑䛾䜒䛾䛷䛩䚹㻌 ⯆䛜䛒䜛䛜䚸ලయⓗ䛺ィ⟬᪉ἲ䜢▱䜚䛯䛔䛸䛛䚸ᐇ㝿䛾ィ⟬䛾⢭ᗘ䜔㝈⏺䜢▱䜚䛯䛔䛺䛹䚸ㄽᩥ䛰䛡䛛䜙䛷䛿ᚓ䜙䜜䛺䛔䜘䛖 䛺ၥ㢟䛻䛴䛔䛶䜒㆟ㄽ䜢᥎ዡ䛧䚸䜎䛯䛣䛣䛷᪂䛯䛺ඹྠ◊✲䛾ⱆ䛜⫱䛴䛣䛸䜒ᮇᚅ䛧䛶䛔䜎䛩䚹㻌 䝔䞊䝬䛿㠀ᖹ⾮䛚䜘䜃ᙉ┦㛵䛷䚸䛭䜜䛮䜜๓༙䛸ᚋ༙䛾ᮇ㛫䛻↔Ⅼ䜢ᙜ䛶䜛ணᐃ䛷䛩䚹㻌 ᅾᆺ䛷䠍᪥䛾䝺䜽䝏䝱䞊䛾ᩘ䛿ᑡᩘ䛻㝈ᐃ䛧䛶䚸ཧຍ⪅ྠኈ䛷䛾㆟ㄽ䛾㛫䜢༑ศ䛻䛸䜚䚸䝛䝑䝖䜰䜽䝉䝇䛾䛒䜛䜸䝣䜱䝇䝇䝨 䞊䝇䜢タ䛡䛶䚸◊✲䛸㆟ㄽ䜢୪⾜䛧䛶⾜䛘䜛⎔ቃ䜢タᐃ䛩䜛ணᐃ䛷䛩䚹ㅮ⩏㛫እ䛾㆟ㄽ䛿ㅮ⩏䛾䝔䞊䝬䛰䛡䛻䛸䜙䜟䜜䛪䚸 ᗈ䛟ඹ㏻䛾⯆䛻䛴䛔䛶⮬⏤䛻┦ᡭ䜢ぢ䛴䛡䛶㆟ㄽ䛧䛶䛔䛯䛰䛟䛣䛸䜢᥎ዡ䛧䜎䛩䚹⯆䛾㞟䜎䜛ㄢ㢟䛜䛒䜜䜀䝇䝨䝅䝱䝹䝉䝑 䝅䝵䞁䛷㆟ㄽ䛾ሙ䜢タ䛡䜛䛣䛸䜒⪃䛘䜙䜜䜎䛩䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 䠘㻤 ᭶ 㻞㻜 ᪥䠄᭶䠅䠚㻌 㻌 㻌 㻝㻟㻦㻜㻜㻙㻝㻟㻦㻝㻜㻌 䛿䛨䜑䛻㻌 䠄ኳ⬟⢭୍㑻㻌 ⚄ᡞᏛ䠅㻌 㻝㻟㻦㻝㻜㻙㻝㻠㻦㻝㻜㻌 ศᏊ⣔䛾㟁Ꮚ┦㛵⌮ㄽ䛾ᇶ♏䛸ከཧ↷ᦤື⌮ㄽ䠄䠍䠅㻌 䠄ㅮᖌ䠖㻌 ୰㔝ᬕஅඛ⏕㻌 䠄ᕞᏛ䠅䠅㻌 㻝㻡㻦㻟㻜㻙㻝㻢㻦㻟㻜㻌 ศᏊ⣔䛾㟁Ꮚ┦㛵⌮ㄽ䛾ᇶ♏䛸ከཧ↷ᦤື⌮ㄽ䠄䠎䠅㻌 䠄ㅮᖌ䠖㻌 ୰㔝ᬕஅඛ⏕㻌 䠄ᕞᏛ䠅䠅㻌 㻝㻣㻦㻜㻜㻙㻝㻤㻦㻜㻜㻌 㟁Ꮚ䛸䝥䝻䝖䞁䛾䝎䜲䝘䝭䜽䝇䠄䠍䠅㻌 䠄ㅮᖌ䠖㻌 Ᏻ⸨⪔ྖඛ⏕㻌 䠄ி㒔Ꮫ䠅䠅㻌 㻌 䠘㻤 ᭶ 㻞㻝 ᪥䠄ⅆ䠅䠚㻌 㻌 㻌 㻜㻥㻦㻟㻜㻙㻝㻜㻦㻟㻜㻌 㻌 㟁Ꮚ䛸䝥䝻䝖䞁䛾䝎䜲䝘䝭䜽䝇䠄䠎䠅㻌 䠄ㅮᖌ䠖㻌 Ᏻ⸨⪔ྖඛ⏕㻌 䠄ி㒔Ꮫ䠅䠅㻌 㻝㻝㻦㻜㻜㻙㻝㻞㻦㻜㻜㻌 㻌 㔞ᏊᏛィ⟬䛻䛚䛡䜛┦ᑐㄽຠᯝ䠄䠍䠅㻌 䠄ㅮᖌ䠖㻌 ୰ᔱ㝯ேඛ⏕㻌 䠄ィ⟬⛉Ꮫ◊✲ᶵᵓ䠅䠅㻌 㻝㻡㻦㻜㻜㻙㻝㻢㻦㻜㻜㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁㻌 䠄䝸䞊䝎䠖ኳ⬟䠅㻌 䛂㔞ᏊᏛィ⟬ㅖᡭἲ䛾ẚ㍑䛸ᒎᮃ䛃㻌 㻞㻜㻦㻜㻜㻙㻞㻝㻦㻜㻜㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠍㻌 䠄㻝㻜 ศ䠅㻌 㻌 䈜䈜䝅䝵䞊䝖䝖䞊䜽䛿◊✲Ⓨ⾲䛸䛔䛖䜘䜚䜒ヰ㢟ᥦ౪䛾䝇䝍䞁䝇䚹㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠎㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠏㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁䠄㻟㻜 ศ䠅㻌 㻌 䠘㻤 ᭶ 㻞㻞 ᪥䠄Ỉ䠅䠚㻌 㻌 㻌 㻜㻥㻦㻟㻜㻙㻝㻜㻦㻟㻜㻌 㻌 㔞ᏊᏛィ⟬䛻䛚䛡䜛┦ᑐㄽຠᯝ䠄䠎䠅㻌 䠄ㅮᖌ䠖㻌 ୰ᔱ㝯ேඛ⏕㻌 䠄ィ⟬⛉Ꮫ◊✲ᶵᵓ䠅䠅㻌 㻝㻝㻦㻜㻜㻙㻝㻞㻦㻜㻜㻌 㻌 ᙉ┦㛵㟁Ꮚ⣔䛾㠀ᖹ⾮┦㌿⛣䛸㠀ᖹ⾮ືⓗᖹᆒሙ⌮ㄽ䠄䠍䠅㻌 䠄ㅮᖌ䠖㻌 ᒸ㝯ྐඛ⏕䠄ᮾிᏛ䠅䠅㻌 㻝㻠㻦㻜㻜㻙㻝㻣㻦㻜㻜㻌 㻌 ⮬⏤ウㄽ㻌 14 添付資料 ５ 㻞㻜㻦㻜㻜㻙㻞㻝㻦㻜㻜㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠍㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠎㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠏㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁䠄㻟㻜 ศ䠅㻌 㻌 䠘㻤 ᭶ 㻞㻟 ᪥䠄ᮌ䠅䠚㻌 㻌 㻜㻥㻦㻟㻜㻙㻝㻜㻦㻟㻜㻌 㻌 ᙉ┦㛵㟁Ꮚ⣔䛾㠀ᖹ⾮┦㌿⛣䛸㠀ᖹ⾮ືⓗᖹᆒሙ⌮ㄽ䠄䠎䠅㻌 䠄ㅮᖌ䠖㻌 ᒸ㝯ྐඛ⏕䠄ᮾிᏛ䠅䠅㻌 㻝㻝㻦㻜㻜㻙㻝㻞㻦㻜㻜㻌 㻌 䝔䞁䝋䝹䝛䝑䝖䠄ⱥㄒ䛻䜘䜛ㅮ⩏䠅㻌 䠄ㅮᖌ䠖㻌 㼀㼍㼛㻌㼄㼕㼍㼚㼓㻌 ඛ⏕䠄ி䠅䠅㻌 㻌 㻝㻡㻦㻜㻜㻙㻝㻢㻦㻜㻜㻌 㻌 䝔䞁䝋䝹䝛䝑䝖䠄ⱥㄒ䛻䜘䜛ㅮ⩏䠅㻌 䠄ㅮᖌ䠖㻌 㼀㼍㼛㻌㼄㼕㼍㼚㼓㻌 ඛ⏕䠄ி䠅䠅㻌 㻞㻜㻦㻜㻜㻙㻞㻝㻦㻜㻜㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠍㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠎㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠏㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁䠄㻟㻜 ศ䠅㻌 㻌 䠘㻤 ᭶ 㻞㻠 ᪥䠄㔠䠅䠚㻌 㻌 㻌 㻜㻥㻦㻟㻜㻙㻝㻜㻦㻟㻜㻌 㻌 ➨୍ཎ⌮ 㻹㻰 䛾ᇶ♏䛸ᛂ⏝䠄䠍䠅㻌 䠄ㅮᖌ䠖㻌 ᳃ᕝⰋᛅඛ⏕䠄㜰Ꮫ䠅䠅㻌 㻝㻝㻦㻜㻜㻙㻝㻞㻦㻜㻜㻌 㻌 ➨୍ཎ⌮ 㻹㻰 䛾ᇶ♏䛸ᛂ⏝䠄䠎䠅㻌 䠄ㅮᖌ䠖㻌 ᳃ᕝⰋᛅඛ⏕㻌 䠄㜰Ꮫ䠅䠅㻌 㻝㻠㻦㻜㻜㻙㻝㻡㻦㻜㻜㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁㻌 䠄䝸䞊䝎䠖㐲ᒣ䠅㻌 䛂㠀ᖹ⾮䛾ィ⟬⛉Ꮫ䠉ᡭἲ䛸ᛂ⏝᭱๓⥺䞉䛣䜜䛛䜙䜢᥈䜛䠉䛃㻌 㻞㻜㻦㻜㻜㻙㻞㻝㻦㻜㻜㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠍㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠎㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝅䝵䞊䝖䝖䞊䜽䝇䠏㻌 䠄㻝㻜 ศ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁䠄㻟㻜 ศ䠅㻌 㻌 䠘㻤 ᭶ 㻞㻡 ᪥䠄ᅵ䠅䠚㻌 㻜㻥㻦㻟㻜㻙㻝㻜㻦㻟㻜㻌 㻌 ඹ㬆 㻴㻲 ἲ䛷ぢ䜛㟁Ꮚ䛸᱁Ꮚ䛾㔞Ꮚᦂ䜙䛞䠄䠍䠅㻌 䠄ㅮᖌ䠖㻌 ᐩ⏣᠇୍ඛ⏕䠄ᒣᙧᏛ䠅䠅㻌 㻝㻝㻦㻜㻜㻙㻝㻞㻦㻜㻜㻌 㻌 ඹ㬆 㻴㻲 ἲ䛷ぢ䜛㟁Ꮚ䛸᱁Ꮚ䛾㔞Ꮚᦂ䜙䛞䠄䠎䠅㻌 䠄ㅮᖌ䠖㻌 ᐩ⏣᠇୍ඛ⏕䠄ᒣᙧᏛ䠅䠅㻌 㻌 㻝㻟㻦㻜㻜㻙㻝㻠㻦㻜㻜㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁㻌 䠄䝸䞊䝎䠖⏣䠅㻌 䛂ᙉ┦㛵㟁Ꮚ⣔䛾᪂䛧䛔᪉ἲㄽ䛃㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ⤊䜟䜚䛻㻌 䠄⏣䠅㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㼀㻱㻸㻦㻌㻜㻠㻙㻣㻝㻟㻢㻙㻟㻞㻣㻥㻌 㻌 㻌 ௨ୖ㻌 15 添付資料 ５ ሗ࿌᭩䠔㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ㻌 㻌 㼀㻯㻯㻵㻌 ➨䠏ᅇ◊✲㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻝㻝 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻝㻟㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 㻌 ദ䠖㻌 㻌 㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ㻌 ᪥㻌 䠖㻌 㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶㻌 㻥 ᪥㻔ⅆ㻕㻝㻟㻦㻟㻜䡚㻝㻣㻦㻡㻡 ཬ䜃᠓ぶ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻝㻜 ᪥㻔Ỉ㻕㻌㻥㻦㻟㻜䡚㻝㻢㻦㻞㻡㻌 㻌 㻌 ሙ㻌 ᡤ䠖㻌 㻌 㻌 ⮬↛⛉Ꮫ◊✲ᶵᵓ㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻌 ㆟ᐊ㻌 ཧຍ㈝䠖㻌 㻌 㻌 ↓ᩱ㻌 䠄ణ䛧䚸᠓ぶ䛿 㻡㻘㻜㻜㻜 䠅㻌 ᠓ぶ䠖㻌 㻌 㻌 ⮬↛⛉Ꮫ◊✲ᶵᵓ㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻌 ୰㆟ᐊ㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 ➨䠍᪥┠䠖㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻥 ᪥䠄ⅆ䠅㻌 䖩䝉䝑䝅䝵䞁䠍䠖䛤ᣵᣜ䚸≉ูㅮ₇䚸ᣍᚅㅮ₇䚸㻯㻹㻿㻵 ◊✲ဨⓎ⾲㻌 㻝㻟㻦㻟㻜㻙㻝㻟㻦㻠㻜㻌 䠄ᮾ㝔⥲ྜᩥ䠋ศᏊ◊䠅㧗ሯ㻌 ኵ㻌 㛤䛾㎡䚸ᣐⅬሗ࿌㻌 㻌 㻝㻟㻦㻠㻜㻙㻝㻟㻦㻠㻡㻌 䠄ศᏊ⛉Ꮫ◊✲ᡤ㛗䠅㻌 㻌 ᓟ㻌 ᕑ㻌 䛤ᣵᣜ㻌 㻌 㻝㻟㻦㻠㻡㻙㻝㻟㻦㻡㻜㻌 䠄ᩥ㒊⛉Ꮫ┬◊✲⯆ᒁሗㄢィ⟬⛉Ꮫ᥎㐍ᐊ㛗䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᯘ㻌 Ꮥᾈ㻌 ᵝ㻌 䛤ᣵᣜ㻌 㻝㻟㻦㻡㻜㻙㻝㻠㻦㻟㻡㻌 䠄ி㝔ᕤ䠅㻌 㻌 㻌 ⏣୰㻌 ᗤ⿱㻌 ≉ูㅮ₇㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂ゐ፹Ꮫ䛷ゎ䛝䛯䛔䛣䛸䞊ගゐ፹䛾䝯䜹䝙䝈䝮䛸䝘䝜⢏Ꮚᡂ䛾䝎䜲䝘䝭䜽䝇䛃㻌 㻝㻠㻦㻟㻡㻙㻝㻡㻦㻜㻡㻌 䠄ᶓᕷ㝔⥲ྜ⌮ᕤ䠅㻌 ụཱྀ㻌 ‶ᚨ㻌 ᣍᚅㅮ₇䠍㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㻲㻝 ศᏊ䝰䞊䝍䞊䛾ศᏊ䝅䝭䝳䝺䞊䝅䝵䞁䛃㻌 㻝㻡㻦㻜㻡㻙㻝㻡㻦㻞㻡㻌 䠄ᮾ㝔⥲ྜᩥ䠋ᮾ㝔ᕤ䠅㻌 ᇛ㔝㻌 ுኴ㻌 ㅮ₇䠍㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂᭷ᶵ䞉Ⰽ⣲ቑឤᆺኴ㝧㟁ụ䛾ᇶ♏㐣⛬䛾◊✲䛃㻌 㻝㻡㻦㻞㻡㻙㻝㻡㻦㻠㻡㻌 䠄ྡ㝔ᕤ䠅㻌 㻌 㻌 ⸨ᮏ㻌 ኈ㻌 ㅮ₇䠎㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂䝭䝉䝹䛾⌮ㄽⓗ◊✲䠖⏕ᡂ䚸ᵓ㐀Ᏻᐃᛶ䚸ྍ⁐䛃㻌 㻌 䖩䝉䝑䝅䝵䞁䠎䠖ᑗ᮶䛾䠤䠬䠟䠥䛻䛴䛔䛶㻌 㻌 㻌 㻌 㻌 㻝㻢㻦㻜㻡㻙㻝㻢㻦㻟㻡㻌 䠄⌮◊ 㻭㻵㻯㻿䠅㻌 㻌 㻌 ᐩ⏣㻌 ᾈᩥ㻌 ᣍᚅㅮ₇䠎㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂ᑗ᮶䛾 㻴㻼㻯㻵 䛾䛒䜚᪉ㄪᰝ◊✲䛻䛴䛔䛶㻌 䠉䜰䝥䝸䜿䞊䝅䝵䞁ศ㔝䛾❧ሙ䛛䜙䠉䛃㻌 㻝㻢㻦㻟㻡㻙㻝㻣㻦㻜㻡㻌 䠄⌮◊ 㻭㻵㻯㻿䠅㻌 㻌 㻌 ᮡ⏣㻌 ᭷㻌 ᣍᚅㅮ₇䠏㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂䝷䜲䝣䝃䜲䜶䞁䝇ศ㔝䛷䛾ᑗ᮶䛾 㻴㻼㻯㻵 䛾䛒䜚᪉䛻䛴䛔䛶䛃㻌 㻝㻣㻦㻜㻡㻙㻝㻣㻦㻡㻡㻌 㻌 䠄ศᏊ◊䠅㻌 ಙᐃ㻌 ඞᖾ䚸䠄ศᏊ◊䠅㻌 ▼ᮧ㻌 ஓ䚸䠄ྡ㝔ᕤ䠅Ᏻ⸨㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㼀㻯㻯㻵 ෆሗ࿌䛂ᑗ᮶䛾 㻴㻼㻯㻵 䛾䛒䜚᪉ㄪᰝ◊✲䛻ᑐ䛩䜛ྲྀ䜚⤌䜏䛃㻌 㻌 㻝㻤㻦㻝㻜㻙㻞㻜㻦㻜㻜㻌 䖪᠓ぶ㻌 㻬⮬↛⛉Ꮫ◊✲ᶵᵓ㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻌 ୰㆟ᐊ㻌 䠄㈝䢠㻡㻜㻜㻜䠅㻌 㻌 㻌 ➨䠎᪥┠䠖㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻝㻜 ᪥䠄Ỉ䠅㻌 䖩䝉䝑䝅䝵䞁䠏䠖㻯㻹㻿㻵 ◊✲ဨⓎ⾲㻌 㻌 㻌 㻌 㻌 㻥㻦㻟㻜㻙㻥㻦㻡㻜㻌 㻌 䠄⚄ᡞ㝔䝅䝇䝔䝮ሗ䠅㻌 す㻌 ⿱ஓ㻌 ㅮ₇䠏㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㟢䜟䛻┦㛵䛧䛯୕ḟ䛾ᦤື䜶䝛䝹䜼䞊䛻㛵䛩䜛⌮ㄽⓗ◊✲䛃㻌 16 添付資料 ５ 㻥㻦㻡㻜㻙㻝㻜㻦㻝㻜㻌 䠄⚄ᡞ㝔䝅䝇䝔䝮ሗ䠅㻌 ሯ㻌 ຬ㉳㻌 ㅮ₇䠐㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂䝇䝺䞊䝍䞊⾜ิᘧ䜢⏝䛧䛯㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䠖㻲㻝㻞 ἲ䛸䛾⤌䜏ྜ䜟䛫䛻䜘䜛㧗⢭ᗘィ⟬䛃㻌 㻝㻜㻦㻝㻜㻙㻝㻜㻦㻟㻜䠄ศᏊ◊䠋ྡ㝔ᕤ䠅㻌 㻌 㻽㼕㼚㼓㻙㻹㼕㼍㼛㻌㻺㼕㼑㻌 ㅮ₇䠑㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㻲㼞㼑㼑㻌㼑㼚㼑㼞㼓㼥㻌㼘㼍㼚㼐㼟㼏㼍㼜㼑㼟㻌㼛㼒㻌㼕㼚㼠㼑㼞㼍㼏㼠㼕㼚㼓㻌㼙㼥㼛㼟㼕㼚㻌㻵㻵㻌㼍㼚㼐㻌㼍㼏㼠㼕㼚㻌㼒㼕㼘㼍㼙㼑㼚㼠㻌㼕㼚㻌㼠㼔㼑㻌㼏㼛㼡㼜㼘㼑㼐㻌㼟㼘㼕㼐㼕㼚㼓㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㼍㼚㼐㻌㼎㼕㼚㼐㼕㼚㼓㻌㼜㼞㼛㼏㼑㼟㼟㼑㼟㻌㼛㼒㻌㼒㼛㼞㼏㼑㻙㼓㼑㼚㼑㼞㼍㼠㼕㼛㼚㻦㻌㻭㻌㼜㼍㼞㼍㼘㼘㼑㼘㻌㼙㼛㼘㼑㼏㼡㼘㼍㼞㻌㼐㼥㼚㼍㼙㼕㼏㼟㻌㼟㼠㼡㼐㼥䛃㻌 㻌 䖩䝉䝑䝅䝵䞁䠐䠖㻯㻹㻿㻵 ◊✲ဨⓎ⾲㻌 㻝㻜㻦㻡㻜㻙㻝㻝㻦㻝㻜㻌 䠄ศᏊ◊䠅㻌 㻌 㻌 㔝⏣㻌 ┿ྐ㻌 ㅮ₇䠒㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂ᐇ㛫䞉ᐇ✵㛫㟁Ꮚ䝎䜲䝘䝭䜽䝇ἲ䝥䝻䜾䝷䝮䛾㛤Ⓨ䛾⌧≧䛃㻌 㻝㻝㻦㻝㻜㻙㻝㻝㻦㻟㻜㻌 䠄ศᏊ◊䠋ྡ㝔⌮䠅㻌 㻌 ᴿ㻌 㻌 ㅮ₇䠓㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂䝍䞁䝟䜽㉁䛾ᢡ䜚␚䜏䝅䝭䝳䝺䞊䝅䝵䞁䛻㛵䛩䜛䛣䜜䜎䛷䛾ྲྀ䜚⤌䜏䛃㻌 㻝㻝㻦㻟㻜㻙㻝㻝㻦㻡㻜㻌 䠄ศᏊ◊䠋ி◊䠅㻌 㻌 Ỉཱྀ㻌 ᭸Ꮚ㻌 ㅮ₇䠔㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂⭷㈏㏻䝍䞁䝟䜽㉁䛾⭷ෆ㓄⨨䛻㛵䛩䜛⮬⏤䜶䝛䝹䜼䞊ゎᯒ䛃㻌 㻌 䖩䝉䝑䝅䝵䞁䠑䠖ᣍᚅㅮ₇㻌 㻌 㻌 㻌 㻌 㻝㻟㻦㻞㻜㻙㻝㻟㻦㻡㻜㻌 䠄㫽ྲྀ㝔ᕤ䠅㻌 㻌 ྜྷᮏ㻌 ⰾⱥ㻌 ᣍᚅㅮ₇䠐㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㻳㻼㼁 䜢ά⏝䛧䛯 㼔㼥㼎㼞㼕㼐 ᆺ┦㛵ỗ㛵ᩘ䛾ᖹ㠃Ἴᇶᗏ➨୍ཎ⌮ィ⟬䝥䝻䜾䝷䝮䜈䛾ᐇ䛸ỈศᏊ⣔䜈䛾ᛂ⏝䛃㻌 㻌 䖩䝉䝑䝅䝵䞁䠒䠖ᑗ᮶䛾䠤䠬䠟䠥䛻䛴䛔䛶㻌 㻌 㻌 㻌 㻌 㻝㻟㻦㻡㻜㻙㻝㻠㻦㻟㻜㻌 ⮬⏤ウㄽ䛂ᑗ᮶䛾 㻴㻼㻯㻵 䛸ศᏊ⛉Ꮫ䛻䛴䛔䛶䛃㻌 㻌 䖩䝉䝑䝅䝵䞁䠓䠖㻯㻹㻿㻵 ◊✲ဨⓎ⾲䚸䜎䛸䜑㻌 㻌 㻌 㻌 㻌 㻝㻠㻦㻡㻜㻙㻝㻡㻦㻝㻜㻌 䠄ศᏊ◊䠋᪩㝔ඛ㐍⌮ᕤ䠅㻌 す⃝㻌 ᏹ㻌 ㅮ₇䠕㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂つᶍศᏊືຊᏛィ⟬䜢┠ᣦ䛧䛯ศ⤫ᆺ⌮ㄽ䛸୪ิᡭἲ䛾㛤Ⓨ䛃㻌 㻝㻡㻦㻝㻜㻙㻝㻡㻦㻟㻜㻌 䠄ᒸᒣ㝔⮬↛⛉Ꮫ䠅㻌 㻌 ▮䞄㷂㻌 ⌶☻㻌 ㅮ₇䠍䠌㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂Ỉ⣲䞉䝯䝍䞁䝝䜲䝗䝺䞊䝖䛾⏕ᡂ䚸⼥ゎᶵᵓ䛸⇕ຊᏛⓗᏳᐃᛶ䛃㻌 㻝㻡㻦㻟㻜㻙㻝㻡㻦㻡㻜㻌 䠄ศᏊ◊䠋㔠ἑ⌮ᕤ䠅㻌 Ἑὠ㻌 ບ㻌 ㅮ₇䠍䠍㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂䜲䞁䝇䝍䞁䝖䞁䜢⏝䛔䛯䝖䞁䝛䝹ศ䛾ィ⟬䛃㻌 㻝㻡㻦㻡㻜㻙㻝㻢㻦㻝㻜㻌 䠄ᮾ㝔⥲ྜᩥ䠅㻌 㻌 ⡿ཎ㻌 ༤㻌 ㅮ₇䠍䠎㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂ᐦ㞟䛧䛯ບ㉳≧ែ䜢㐢Ṕ䛩䜛㟁Ꮚ䛾ືຊᏛ䛸ගᏛ㐣⛬䛻䛚䛡䜛Ἴ᮰䛾㠀᩿⇕ศᒱ䛾グ㏙䛃㻌 㻝㻢㻦㻝㻜㻙㻝㻢㻦㻞㻡㻌 䠄ᮾ㝔⥲ྜᩥ䠋ศᏊ◊䠅㻌 㧗ሯ㻌 ኵ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䜎䛸䜑䚸㛢䛾㎡㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 䛚ၥ䛔ྜ䜟䛫ඛ䠖䛈㻠㻠㻠㻙㻤㻡㻤㻡㻌 㻌 ᒸᓮᕷ᫂ᑎ⏫す㒓୰ 㻟㻤㻌 㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬົᒁ㻌 㻌 㻌 㻌 㻌 㟁ヰ䠖㻜㻡㻢㻠㻙㻡㻡㻙㻣㻜㻣㻠䠄Ⓨಙ㡢䛾ᚋ䚸ᬻ䛟䛚ᚅ䛱䛟䛰䛥䛔䠅㻌 㻌 㻌 㻌 㻌 㻲㼍㼤㻦㻌㻜㻡㻢㻠㻙㻡㻠㻙㻞㻞㻡㻠㻔௦⾲㻕㻘㻌㻜㻡㻢㻠㻙㻡㻡㻙㻣㻜㻣㻠䠄Ⓨಙ㡢䛾ᚋ䠅㻡㻟㻌 㻌 㻌 㻌 㻌 㻱㻙㼙㼍㼕㼘㻦㻌㼠㼏㼏㼕㻙㼛㼒㼒㼕㼏㼑䠜㼥㼒㼑㼜㻞㻚㼕㼙㼟㻚㼍㼏㻚㼖㼜㻌 㻌 㻌 ௨ୖ㻌 17 添付資料 ５ ሗ࿌᭩䠕㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ➨ 㻝 ᅇ㻌 㻯㻹㻿㻵 ඖ⣲ᡓ␎䝅䞁䝫䝆䜴䝮㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻞㻞 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻝㻠㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻞㻜 ᪥䠄ᅵ䠅㻌 㻝㻟㻦㻜㻜㻌㻙㻌㻝㻣㻦㻝㻜㻌 䠄㻝㻣㻦㻟㻜㻌㻙㻌㻝㻥㻦㻜㻜㻌 ᠓ㄯ䠅㻌 ሙ䠖㻌 㻌 㼀㻷㻼 ᮾி㥐ඵ㔜Ὢ䜹䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻌 䝩䞊䝹 㻡㻭㻌 ཧຍ㈝䠖㻌 ↓ᩱ㻌 䠄᠓ㄯཧຍ㈝㻌 㻞㻘㻜㻜㻜 䠅㻌 㻌 䛆㛤ദ᪨䛇㻌 ᖹᡂ 㻞㻠 ᖺ 㻢 ᭶䛻䝇䝍䞊䝖䛧䛯ᩥ⛉┬ඖ⣲ᡓ␎䝥䝻䝆䜵䜽䝖䠄◊✲ᣐⅬᙧᡂᆺ䠅䛻䛚䛔䛶䚸㻯㻹㻿㻵 䛿ྛᣐⅬ䛻ඹ㏻䛸䛺䜛ᇶ┙ⓗィ ⟬ᶵ䝅䝭䝳䝺䞊䝅䝵䞁ᡭἲ䜢᳨ウ䛩䜛ᙺ䜢ᢸ䛳䛶䛔䜎䛩䚹㻌 ᅇ䛿䛭䛾୍⎔䛸䛧䛶䚸☢▼ᮦᩱ䚸ᵓ㐀ᮦᩱ䚸㟁Ꮚᮦᩱ䚸ゐ፹䞉㟁ụᮦᩱ䛾 㻠 ᣐⅬ䛾㟁Ꮚㄽ䜾䝹䞊䝥䝸䞊䝎䞊䜘䜚ྛᣐⅬ䛾ィ ⏬䛸ㄢ㢟䜢䛚ヰ䛧䛔䛯䛰䛟ᶵ䜢タ䛡䚸⌮ㄽ◊✲䛾ᣐⅬඹ㏻ㄢ㢟䛾ᢳฟ䛸ඹ᭷䜢ᅗ䜚䜎䛩䚹ᐇ㦂◊✲⪅䜒ྵ䜑䛯ᖜᗈ䛔㡿ᇦ 䛾᪉䚻䛻䛤ཧຍ䛔䛯䛰䛝䚸⌧ᐇ䛸⌮䜢⤖䜆ィ⟬≀㉁⛉Ꮫ䛾᪂ᡭἲ䛾㛤ᣅ䜢┠ᣦ䛧䛶䚸㆟ㄽ䜢῝䜑䜎䛩䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 㻝㻟㻦㻜㻜㻌 㻌 㻌 㻌 㻌 㻌 㻻㼜㼑㼚㼕㼚㼓㻌 㻝㻟㻦㻝㻡㻙㻝㻠㻦㻜㻜㻌 㻌 㟁ᏊᮦᩱᣐⅬ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㟁ᏊᮦᩱᣐⅬ㟁Ꮚㄽ䜾䝹䞊䝥䛾ィ⏬䛸ㄢ㢟㻌 䠥䛃㻌 㻌 ᮾᕤ㻌 ⚄㇂ኵ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㟁ᏊᮦᩱᣐⅬ㟁Ꮚㄽ䜾䝹䞊䝥䛾ィ⏬䛸ㄢ㢟㻌 䠥䠥䛃㻌 ி㻌 ሙྐᗣ㻌 㻝㻠㻦㻜㻜㻙㻝㻠㻦㻠㻡㻌 ☢▼ᮦᩱᣐⅬ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂☢▼ᮦᩱᣐⅬ㟁Ꮚㄽ䜾䝹䞊䝥䛾ィ⏬䛸ㄢ㢟䛃㻌 㻌 ⏘⥲◊㻌 ୕Ꮿ㝯㻌 㻌 㻝㻠㻦㻠㻡㻙㻝㻡㻦㻜㻜㻌 㻯㼛㼒㼒㼑㼑㻌㻮㼞㼑㼍㼗㻌 㻌 㻝㻡㻦㻜㻜㻙㻝㻡㻦㻠㻡㻌 ᵓ㐀ᮦᩱᣐⅬ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂䝣䜷䝜䞁ィ⟬䛾ᵓ㐀ᮦᩱ◊✲䜈䛾ᛂ⏝䛃㻌 㻌 ி㻌 ⏣୰㻌 ຌ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂ᵓ㐀ᮦᩱ୰䛾⢏⏺䞉⏺㠃䛾ᒁᡤ䜶䝛䝹䜼䞊䞉ᒁᡤᛂຊゎᯒ䛃㻌 㻌 ⏘⥲◊㻌 㤶ᒣṇ᠇㻌 㻝㻡㻦㻠㻡㻙㻝㻢㻦㻟㻜㻌 ゐ፹䞉㟁ụᣐⅬ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂ゐ፹䞉㟁ụᮦᩱᣐⅬ㟁Ꮚㄽ䜾䝹䞊䝥䛾ィ⏬䛸ㄢ㢟䊠䛃㻌 㻌 ศᏊ◊㻌 Ụཎṇ༤㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂ゐ፹䞉㟁ụᮦᩱᣐⅬ㟁Ꮚㄽ䜾䝹䞊䝥䛾ィ⏬䛸ㄢ㢟䊡䛃㻌 㻌 ⏘⥲◊㻌 ㇂ᐇ㻌 㻌 㻝㻢㻦㻟㻜㻙㻝㻣㻦㻝㻜㻌 యウㄽ䠄ඹ㏻ᇶ┙◊✲䛻䛴䛔䛶䠅㻌 㻝㻣㻦㻟㻜㻙㻝㻥㻦㻜㻜㻌 㻌 ᠓ㄯ㻌 㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 ௨ୖ㻌 18 添付資料 ５ ሗ࿌᭩䠍䠌㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 ≀ᛶ◊✲ᡤ㻌 ィ⟬≀㉁⛉Ꮫ◊✲䝉䞁䝍䞊㻌 㻌 ➨䠎ᅇ䝅䞁䝫䝆䜴䝮㻌 㻌 䡚ᐇ㦂䞉ィ 䞉ィ⟬㐃ᦠ䛾᪂ᒎ㛤䡚㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻞㻠 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻝㻡㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻞㻜㻝㻞 ᖺ 㻝㻜 ᭶ 㻞㻞 ᪥䠄᭶䠅㻌 㻝㻟㻦㻟㻜㻌㻙㻌㻝㻣㻦㻟㻜㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌㻌㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䠄㻝㻤㻦㻜㻜䡚㻌 ᠓ぶ㻌 ᮾ᯽䜻䝱䞁䝟䝇ෆ䝺䝇䝖䝷䞁䇿䜹䝣䜵䝔䝸䜰䇿䛻䛶䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌㻌 㻞㻟 ᪥䠄ⅆ䠅㻌 㻌 㻥㻦㻟㻜㻌㻙㻌㻝㻣㻦㻟㻜㻌 ሙ䠖㻌 㻌 ᮾிᏛ≀ᛶ◊✲ᡤ㻌 䠒㝵ㅮ⩏ᐊ㻌 㻌 㻌 㻌 ཧຍ㈝䠖㻌 ↓ᩱ㻌 䠄᠓ぶཧຍ㈝㻌 㻠㻘㻜㻜㻜 䠅㻌 㻌 䛆ᴫせ䛇㻌 㻿㻼㼞㼕㼚㼓㻙㻤䚸㻶㻙㻼㻭㻾㻯䚸㻿㻭㻯㻸㻭 ➼䛾ᆺィ タ䛜䜒䛯䜙䛩᭱᪂䛾◊✲ᡂᯝ䛸䚸䛂ி䛃➼䛾 㻴㻼㻯㻵 䜢⏝䛩䜛ィ⟬≀ ㉁⛉Ꮫ䛾䝔䞊䝬䜢ྲྀ䜚ୖ䛢䚸ඖ⣲ᡓ␎䝥䝻䝆䜵䜽䝖䛻௦⾲䛥䜜䜛ᅜᐙⓗ䞉♫ⓗ䛺ㄢ㢟䛾ゎỴ䜢ຍ㏿䛩䜛䛯䜑䛾ᐇ 㦂䞉ィ 䞉ィ⟬䛜㐃ᦠ䛧䛶ྲྀ䜚⤌䜐䜉䛝᪂䛧䛔ᇶ♏⌮ㄽ➼䜢㆟ㄽ䛔䛯䛧䜎䛩䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 䠷㻝㻜 ᭶ 㻞㻞 ᪥䠄᭶䠅䠹㻌 㻝㻟㻦㻟㻜㻙㻝㻟㻦㻠㻜㻌 㻌 ᣵᣜ㻌 䠄ᐙὈᘯ㻌 ᮾ䞉≀ᛶ◊✲ᡤ䠅㻌 㻝㻟㻦㻠㻜㻙㻝㻟㻦㻡㻜㻌 㻌 ᣵᣜ㻌 䠄ᯘᏕᾈ㻌 ᩥ㒊⛉Ꮫ┬㻌 ሗㄢ䠅㻌 㻝㻟㻦㻡㻜㻙㻝㻠㻦㻜㻜㻌 㻌 ィ⟬≀㉁⛉Ꮫ◊✲䝉䞁䝍䞊䛾άື㻌 䠄ᖖ⾜┿ྖ㻌 ᮾ㝔䞉⌮䠋≀ᛶ◊✲ᡤ䠅㻌 㻝㻠㻦㻜㻜㻙㻝㻠㻦㻟㻜㻌 㻌 ㉸㧗㏿䝁䝠䞊䝺䞁䝖ไᚚᐇ㦂䛻䛚䛡䜛つᶍィ⟬䜈䛾ᮇᚅ㻌 㻌 䠄୕ἑᙪ㻌 ᮾி㎰ᕤ㻌 ᕤᏛ◊✲㝔䠅㻌 㻝㻠㻦㻟㻜㻙㻝㻡㻦㻜㻜㻌 㻌 ㌾䠴⥺ศග䛻䜘䜛Ỉ䛾౯㟁Ꮚ≧ែほ 䛸ᒁᡤᵓ㐀䛾㆟ㄽ㻌 䠄ཎ⏣ឿஂ㻌 ᮾ䞉≀ᛶ◊✲ᡤ䠅㻌 㻝㻡㻦㻜㻜㻙㻝㻡㻦㻟㻜㻌 㻌 ⏺㠃άᛶ䛾ᵓ㐀ᙧᡂ䛾⢒ど䝅䝭䝳䝺䞊䝅䝵䞁㻌 䠄㔝ཱྀ༤ྖ㻌 ᮾ≀ᛶ◊✲ᡤ䠅㻌 㻌 㻝㻡㻦㻟㻜㻙㻝㻢㻦㻜㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䜲䜽㻌 㻌 㻌 㻝㻢㻦㻜㻜㻙㻝㻢㻦㻟㻜㻌 㻌 ㏫䝰䞁䝔䜹䝹䝻ἲ䛸 㻰㻲㼀㻛㻹㻰 ィ⟬䜢⤌䜏ྜ䜟䛫䛯㧗㏿┦ኚᮦᩱ䛾┦ኚ䝯䜹䝙䝈䝮䛾ゎ᫂㻌 㻌 䠄ᑠཎ┿ྖ㻌 㻶㻭㻿㻾㻵㻛㻿㻼㼞㼕㼚㼓㻙㻤䠅㻌 㻝㻢㻦㻟㻜㻙㻝㻣㻦㻜㻜㻌 㻌 ඛ➃䝇䝨䜽䝖䝻䝇䝁䝢䞊䛸㐃ᦠ䛧䛯ᙉ┦㛵㟁Ꮚ⣔䛾ບ㉳䝎䜲䝘䝭䜽䝇◊✲㻌 䠄㐲ᒣ㈗ᕫ㻌 ி㒔䠅㻌 㻌 㻝㻣㻦㻜㻜㻙㻝㻣㻦㻟㻜㻌 㻌 㼀㼍㻞㻻㻡 䛾ᵓ㐀䛸㓟⣲✵Ꮝ㻌 䠄ᮡ㔝ಟ㻌 ᮾ䞉≀ᛶ◊✲ᡤ䠅㻌 㻝㻤㻦㻜㻜㻌 㻌 㻌 㻌 㻌 㻌 ᠓ぶ㻌 䠄䜹䝣䜵䝔䝸䜰䛻䛶㛤ദணᐃ䠅㻌 㻌 㻌 㻌 㻌 㻌 䠷㻝㻜 ᭶ 㻞㻟 ᪥䠄ⅆ䠅䠹㻌 㻌 㻌 㻌 㻌 㻜㻥㻦㻟㻜㻙㻝㻜㻦㻜㻜㻌 㻌 ศᏊෆ㟁Ꮚ䝎䜲䝘䝭䜽䝇䛾┤᥋ほ 䛻䛴䛔䛶㻌 䠄㧗ሯኵ㻌 ᮾ䠅㻌 㻝㻜㻦㻜㻜㻙㻝㻜㻦㻟㻜㻌 㻌 ᾮయ䛾㉸㧗㏿ග㟁Ꮚศග㻌 䠄㕥ᮌಇἲ㻌 㻌 ி㒔䠅㻌 㻌 㻝㻜㻦㻟㻜㻙㻝㻝㻦㻜㻜㻌 㻌 㔞Ꮚ☢ᛶ≧ែ䛾㠀☢ᛶไᚚ㻌 䠄ᐑୗ⢭㻌 ᮾ䠅㻌 㻌 㻝㻝㻦㻜㻜㻙㻝㻝㻦㻟㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䜲䜽㻌 㻝㻝㻦㻟㻜㻙㻝㻞㻦㻜㻜㻌 㻌 ➨୍ཎ⌮ィ⟬䛻䜘䜛☢▼ᮦᩱ䛾≀ᛶゎ᫂㻌 䠄୕Ꮿ㝯㻌 ⏘⥲◊䞉䝘䝜䝅䝇䝔䝮䠅㻌 㻌 㻝㻞㻦㻜㻜㻙㻝㻞㻦㻟㻜㻌 㻌 䝟䝹䝇୰ᛶᏊ䜢⏝䛔䛯᪂䛧䛔୰ᛶᏊ䜲䝯䞊䝆䞁䜾ἲ䛾㛤Ⓨ㻌 㻌 䠄⠛ཎṊᑦ㻌 ཎ◊䞉㻶㻙㻼㻭㻾㻯 䝉䞁䝍䞊䠅㻌 㻌 㻝㻞㻦㻟㻜㻙㻝㻟㻦㻟㻜㻌 㻌 㣗㻌 㻌 19 添付資料 ５ 㻝㻟㻦㻟㻜㻙㻝㻠㻦㻜㻜㻌 ᙉㄏ㟁య୰䛾ᴟᏊ┦స⏝䛾㧗㏿ィ⟬㻌 䠄すᯇẎ㻌 ᮾ䠅㻌 㻝㻠㻦㻜㻜㻙㻝㻠㻦㻟㻜㻌 㻌 㻳㻼㼁㻌 䝇䝟䝁䞁䛻䛚䛡䜛䝣䜵䞊䝈䝣䜱䞊䝹䝗ἲ䛻䜘䜛ᶞᯞ≧จᅛᡂ㛗䛾つᶍ䝅䝭䝳䝺䞊䝅䝵䞁㻌 㻌 䠄㟷ᮌᑛஅ㻌 ᮾᕤ䠅㻌 㻝㻠㻦㻟㻜㻙㻝㻡㻦㻜㻜㻌 㻌 䜰䝰䝹䝣䜯䝇ᅛయ䛾ຊᏛ≀ᛶ㻌 㻙㻌 䝺䝥䝸䜹ἲ㻗ᾮయᐦᗘỗ㛵ᩘἲ䛻䜘䜛➨୍ཎ⌮ⓗィ⟬㻌 㻌 䠄ྜྷ㔝ඖ㻌 㜰䠅㻌 㻝㻡㻦㻜㻜㻙㻝㻡㻦㻟㻜㻌 㻌 㻶㻙㻼㻭㻾㻯㻘㻌㻹㻸㻲 ୰ᛶᏊᐇ㦂⨨䛻䛚䛡䜛䝕䞊䝍䛸ồ䜑䜙䜜䜛ィ⟬⎔ቃ㻌 㻌 䠄✄ᮧὈᘯ㻌 ཎ◊䞉㻶㻙㻼㻭㻾㻯 䝉䞁䝍䞊୰ᛶᏊ⏝䠅㻌 㻝㻡㻦㻟㻜㻙㻝㻢㻦㻜㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䜲䜽㻌 㻝㻢㻦㻜㻜㻙㻝㻢㻦㻟㻜㻌 㻌 䝷䞁䝎䝮⣔≀㉁䛾ືⓗᵓ㐀ᅉᏊ䛾⌮ゎ䛻ྥ䛡䛶㻌 䠄ᕝ⮳ಙ㻌 ཎ◊⏝䝉䜽䠅㻌 㻝㻢㻦㻟㻜㻙㻝㻣㻦㻜㻜㻌 㻌 䝘䝜⢏Ꮚሸ䝂䝮䛾㎡✵㛫ᵓ㐀ゎᯒ䛸䝅䝭䝳䝺䞊䝅䝵䞁ᛂ⏝㻌 䠄ᓊᮏᾈ㏻㻌 ఫ䝂䝮䠅㻌 㻝㻣㻦㻜㻜㻙㻝㻣㻦㻟㻜㻌 㻌 䝁䝠䞊䝺䞁䝖䠴⥺ᅇᢡ䜲䝯䞊䝆䞁䜾䛻䜘䜛㠀⤖ᬗ⢏Ꮚ䛾ᵓ㐀ゎᯒ㻌 䠄୰㏕㞞⏤㻌 ᛂ䠅㻌 㻝㻣㻦㻟㻜㻌 㻌 㻌 㻌 㻌 㻌 㼏㼘㼛㼟㼕㼚㼓㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㼀㻱㻸㻦㻌㻜㻠㻙㻣㻝㻟㻢㻙㻟㻞㻣㻥㻌 㻌 㻌 ௨ୖ㻌 20 添付資料 ５ ሗ࿌᭩䠍䠍㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 㼀㻯㻯㻵㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻝 ᭶ 㻝㻥 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻝㻣㻌 㻌 ➨ 㻞 ᅇᐇ㦂Ꮫ䛸䛾ὶ䝅䞁䝫䝆䜴䝮㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻞㻜㻝㻞 ᖺ 㻝㻝 ᭶ 㻝㻢 ᪥䠄㔠䠅㻌 㻝㻟䠖㻟㻜䡚㻝㻤㻦㻡㻡㻌 䠄㻝㻥㻦㻝㻜㻙㻞㻜㻦㻠㻜 ᠓ぶ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻝 ᭶ 㻝㻣 ᪥䠄ᅵ䠅㻌 㻥㻦㻟㻜䡚㻝㻣㻦㻝㻡㻌 ሙᡤ䠖㻌 ி㒔Ꮫ⚟ㅬ୍グᛕ◊✲䝉䞁䝍䞊㻌 㻌 㻌 㻌 㻌 㻌 䠄᠓ぶሙ䠖㻌 䝩䝔䝹䜰䝞䞁䝅䜵䝹ி㒔䠄ᪧ䝩䝸䝕䜱䞉䜲䞁ி㒔䠅䠅㻌 ദ䠖㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ㻌 ඹദ䠖㻌 ㈈ᅋἲேィ⟬⛉Ꮫ⯆㈈ᅋ㻌 䝇䞊䝟䞊䝁䞁䝢䝳䞊䝔䜱䞁䜾ᢏ⾡⏘ᴗᛂ⏝༠㆟㻌 㻌 䛆㛤ദ᪨䛇㻌 ᖹᡂ 㻞㻠 ᖺ 㻢 ᭶䛻䝇䝍䞊䝖䛧䛯ᩥ⛉┬ඖ⣲ᡓ␎䝥䝻䝆䜵䜽䝖䠄◊✲ᣐⅬᙧᡂᆺ䠅䛻䛚䛔䛶䚸㻯㻹㻿㻵 䛿ྛᣐⅬ䛻ඹ㏻䛸䛺䜛ᇶ┙ⓗィ ⟬ᶵ䝅䝭䝳䝺䞊䝅䝵䞁ᡭἲ䜢᳨ウ䛩䜛ᙺ䜢ᢸ䛳䛶䛔䜎䛩䚹㻌 ᅇ䛿䛭䛾୍⎔䛸䛧䛶䚸☢▼ᮦᩱ䚸ᵓ㐀ᮦᩱ䚸㟁Ꮚᮦᩱ䚸ゐ፹䞉㟁ụᮦᩱ䛾 㻠 ᣐⅬ䛾㟁Ꮚㄽ䜾䝹䞊䝥䝸䞊䝎䞊䜘䜚ྛᣐⅬ䛾ィ ⏬䛸ㄢ㢟䜢䛚ヰ䛧䛔䛯䛰䛟ᶵ䜢タ䛡䚸⌮ㄽ◊✲䛾ᣐⅬඹ㏻ㄢ㢟䛾ᢳฟ䛸ඹ᭷䜢ᅗ䜚䜎䛩䚹ᐇ㦂◊✲⪅䜒ྵ䜑䛯ᖜᗈ䛔㡿ᇦ 䛾᪉䚻䛻䛤ཧຍ䛔䛯䛰䛝䚸⌧ᐇ䛸⌮䜢⤖䜆ィ⟬≀㉁⛉Ꮫ䛾᪂ᡭἲ䛾㛤ᣅ䜢┠ᣦ䛧䛶䚸㆟ㄽ䜢῝䜑䜎䛩䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 ᗙ㛗㻌 Ṋḟ㻌 ᚭஓ䠄㝔⌮䠅㻌 㻌 㻌 䠘➨ 㻝 ᪥┠䠖㻝㻝 ᭶ 㻝㻢 ᪥㻔㔠㻕㻌㻝㻟㻦㻟㻜䡚㻝㻤㻦㻡㻡䠚㻌 䝉䝑䝅䝵䞁 㻝䠖㻌 㻝㻟㻦㻟㻜䠉㻝㻟㻦㻠㻜㻌 㛤䛾㎡㻌 㻌 ᣐⅬሗ࿌㻌 㻌 㧗ሯ㻌 ኵ㻌 䠄ᮾ㝔⥲ྜᩥ䠋ศᏊ◊䠅㻌 㻝㻟㻦㻠㻜䠉㻝㻠㻦㻜㻡㻌 㼀㻯㻯㻵 ሗ࿌ 㻝㻌 㻌 䛂䝝䜲䝗䝺䞊䝖䛾ከᙧ䛸Ᏻᐃ㝈⏺䛃㻌 㻌 ⏣୰㻌 ⚽ᶞ䠄ᒸᒣ㝔⮬↛⛉Ꮫ䠅㻌 㻌 㻝㻠㻦㻜㻡䠉㻝㻠㻦㻡㻡㻌 ᣍᚅㅮ₇ 㻝㻌 㻌 䛂䜽䝷䝇䝺䞊䝖䝝䜲䝗䝺䞊䝖䛾⤖ᬗᵓ㐀䛸⇕≀ᛶ䠖ᐇ㦂䛛䜙䜟䛛䜛䛣䛸ィ⟬䛛䜙䜟䛛䜛䛣䛸䛃㻌 㻌 ᮧ㻌 ு䠄⌮ᕤ䠅㻌 㻌 㻝㻠㻦㻡㻡䠉㻝㻡㻦㻠㻡㻌 ᣍᚅㅮ₇ 㻞㻌 㻌 䛂᭷ᶵ⣔ኴ㝧㟁ụ䛾㧗ຠ⋡䛻ྥ䛡䛶䛃㻌 㻌 ℩ᕝ㻌 ᾈྖ䠄ᮾඛ➃◊䠅㻌 㻌 㻝㻡㻦㻠㻡䠉㻝㻢㻦㻟㻡㻌 ᣍᚅㅮ₇ 㻟㻌 㻌 䛂㉸㧗㏿ග㟁Ꮚศග䛻䜘䜛Ẽ┦䛚䜘䜃ᾮ┦䛾㠀᩿⇕Ꮫ䝎䜲䝘䝭䜽䝇䛾◊✲䛃㻌 㻌 㕥ᮌ㻌 ಇἲ䠄ி㝔⌮䠅㻌 㻌 㻝㻢㻦㻟㻡䠉㻝㻢㻦㻡㻜㻌 ఇ᠁㻌 㻌 㻌 ᗙ㛗㻌 ᑿ㻌 ᙲᮁ䠄ᮾศ⏕◊䠅㻌 㻌 㻌 䝉䝑䝅䝵䞁 㻞䠖㻌 㻝㻢㻦㻡㻜䠉㻝㻣㻦㻝㻡㻌 㼀㻯㻯㻵 ሗ࿌ 㻞㻌 㻌 䛂䝫䝸䜸䜴䜲䝹䝇䜹䝥䝅䝗䛾ศᏊືຊᏛィ⟬䛃㻌 㻌 ᒸᓮ㻌 㐍䠄ྡ㝔ᕤ䠅㻌 㻌 㻝㻣㻦㻝㻡䠉㻝㻤㻦㻜㻡㻌 ᣍᚅㅮ₇ 㻠㻌 21 添付資料 ５ 㻌 䛂䝫䝸䜸䜴䜲䝹䝇ឤᰁ䛸⏕యศᏊ䠄௬㢟䠅䛃㻌 㻌 㔝ᮏ㻌 ᫂⏨䠄ᚤ⏕≀◊䠅㻌 㻌 㻝㻤㻦㻜㻡䠉㻝㻤㻦㻡㻡㻌 ᣍᚅㅮ₇ 㻡㻌 㻌 䛂ከᶵ⬟ᛶ䜶䞁䝧䝻䞊䝥ᆺ䝘䝜ᵓ㐀య䛾〇䛸䝘䝜་⒪䜈䛾ᒎ㛤䛃㻌 㻌 ཎᓥ㻌 ⚽ྜྷ䠄㝔⸆䠅㻌 㻌 㻝㻤㻦㻡㻡䠉㻝㻥㻦㻝㻜㻌 ఇ᠁䞉⛣ື㻌 㻝㻥㻦㻝㻜䠉㻞㻜㻦㻠㻜㻌 ᠓ぶ䠄ሙᡤ䠖䝩䝔䝹㻌 䜰䝞䞁䝅䜵䝹ி㒔䠅㻌 㻌 㻌 䠘➨ 㻞 ᪥┠䠖㻝㻝 ᭶ 㻝㻣 ᪥㻔ᅵ㻕㻌㻥㻦㻟㻜䡚㻝㻣㻦㻝㻡䠚㻌 ᗙ㛗㻌 ྜྷ⃝㻌 ୍ᡂ䠄ඛᑟ≀㉁◊䠅㻌 㻌 㻌 䝉䝑䝅䝵䞁 㻟䠖㻌 㻥㻦㻟㻜䠉㻥㻦㻡㻡㻌 㼀㻯㻯㻵 ሗ࿌ 㻟㻌 㻌 䛂┦⏺㠃䛻䛚䛡䜛㟁Ⲵ⛣ື≧ែ䛸ኴ㝧ග䜶䝛䝹䜼䞊ኚ䛃㻌 㻌 ᒣୗ㻌 ୍䠄ᮾ㝔ᕤ䠅㻌 㻌 㻥㻦㻡㻡䠉㻝㻜㻦㻞㻜㻌 㼀㻯㻯㻵 ሗ࿌ 㻠㻌 㻌 䛂㏆᥋ሙග䝘䝜✵㛫ᛂሙᙧᡂ䛸ග䜶䝛䝹䜼䞊ኚ䛃㻌 㻌 ಙᐃ㻌 ඞᖾ䠄ศᏊ◊䠅㻌 㻌 㻝㻜㻦㻞㻜䠉㻝㻝㻦㻝㻜㻌 ᣍᚅㅮ₇ 㻢㻌 㻌 䛂㧗㓄䛚䜘䜃ప㓄ᆺඖ⣲䛾ᐇ㦂◊✲䛸ィ⟬Ꮫ䛃㻌 㻌 ᒣᮏ㻌 㝧䠄ᗈᓥ㝔⌮䠅㻌 㻌 㻝㻝㻦㻝㻜䠉㻝㻞㻦㻜㻜㻌 ᣍᚅㅮ₇ 㻣㻌 㻌 䛂ᅛᾮ⏺㠃䛾㟁Ꮚ⛣ື䛻㉳ᅉ䛩䜛᪂䛧䛔≀ᛶᏛ䛃㻌 㻌 㜿Ἴ㈡㻌 㑥ኵ䠄ྡ㝔⌮䠅㻌 㻌 㻝㻥㻦㻝㻜䠉㻞㻜㻦㻠㻜㻌 㣗䞉ఇ᠁㻌 㻌 㻌 ᗙ㛗㻌 㧗ሯ㻌 ኵ䠄ศᏊ◊㻛ᮾ㝔⥲ྜᩥ䠅㻌 㻌 㻌 䝉䝑䝅䝵䞁 㻠䠖㻌 㻝㻟㻦㻟㻜䠉㻝㻟㻦㻡㻡㻌 㼀㻯㻯㻵 ሗ࿌ 㻡㻌 㻌 䛂㧗࿘ᮇඖ⣲䛾⤖ྜ䛸ᵓ㐀䛃㻌 㻌 Ọ℩㻌 ⱱ䠄ி⚟䝉䞁䝍䞊䠅㻌 㻌 㻝㻟㻦㻡㻡䠉㻝㻠㻦㻠㻡㻌 ᣍᚅㅮ₇ 㻤㻌 㻌 䛂ከᏍᛶ㔠ᒓ㘒య䛻䜘䜛䝯䝌䝇䝁䝢䝑䜽㓄✵㛫䛾Ꮫ䛃㻌 㻌 ᕝ㻌 㐍䠄ி 㼕㻯㼑㻹㻿䠅㻌 㻌 㻝㻠㻦㻠㻡䠉㻝㻡㻦㻟㻡㻌 ᣍᚅㅮ₇ 㻥㻌 㻌 䛂㟁Ꮚ㢧ᚤ㙾䛻䜘䜛༢ศᏊ䞉ᐇ㛫䜲䝯䞊䝆䞁䜾䠄㻿㻹㻾㼀㻙㼀㻱㻹㻕䛷ᣅ䛟᪂⛉Ꮫ䛃㻌 㻌 ୰ᮧ㻌 ᰤ୍䠄ᮾ㝔⌮䠅㻌 㻌 㻝㻡㻦㻟㻡䠉㻝㻡㻦㻡㻜㻌 ఇ᠁㻌 㻌 ᗙ㛗㻌 ୰㔝㻌 㞞⏤䠄㜰㝔ᇶ♏ᕤ䠅㻌 㻌 㻌 䝉䝑䝅䝵䞁 㻡䠖㻌 㻝㻡㻦㻡㻜䠉㻝㻢㻦㻝㻡㻌 㼀㻯㻯㻵 ሗ࿌ 㻢㻌 㻌 䛂ග≀ᛶᏛ䛸ᚤ⢏Ꮚゐ፹䛻䛚䛡䜛ᐇ㦂䛸䛾༠ຊ◊✲䛃㻌 㻌 Ụཎ㻌 ṇ༤䠄ศᏊ◊䠅㻌 㻌 㻌 㻝㻢㻦㻝㻡䠉㻝㻣㻦㻜㻡㻌 ᣍᚅㅮ₇ 㻝㻜㻌 㻌 䛂㟁ụ⏝㟁ᴟ㻛㟁ゎ㉁⏺㠃䛷䛾㟁Ⲵ⛣ືᛂ䠉䝸䝏䜴䝮䜲䜸䞁㟁ụ䜢୰ᚰ䛻䠉䛃㻌 㻌 Ᏻ㒊㻌 Ṋᚿ䠄ி㝔ᕤ䠅㻌 㻌 㻝㻣㻦㻜㻡䠉㻝㻣㻦㻝㻡㻌 䜎䛸䜑䚸㛢䛾㎡㻌 㻌 ᴬ㻌 ⱱዲ䠄ி⚟䝉䞁䝍䞊䠅㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬົᒁ㻌 㟁ヰ䠖㻜㻡㻢㻠㻙㻡㻡㻙㻣㻜㻣㻠㻌 㻌 㻲㼍㼤㻦㻌㻜㻡㻢㻠㻙㻡㻠㻙㻞㻞㻡㻠㻔௦⾲㻕㻘㻌㻜㻡㻢㻠㻙㻡㻡㻙㻣㻜㻣㻠䠄Ⓨಙ㡢䛾ᚋ䠅㻡㻟㻌 㻱㻙㼙㼍㼕㼘㻦㻌㼠㼏㼏㼕㻙㼛㼒㼒㼕㼏㼑䠜㼥㼒㼑㼜㻞㻚㼕㼙㼟㻚㼍㼏㻚㼖㻌 㻌 ௨ୖ㻌 22 添付資料 ５ ሗ࿌᭩䠍䠎㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ➨䠏ᅇ㻌 㻯㻹㻿㻵㻌 ◊✲㻌 㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻢 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻝㻤㻌 䡚㉸୪ิィ⟬䛜ᣅ䛟᪂䛧䛔ィ⟬≀㉁⛉Ꮫ䡚㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻟 ᪥㻔᭶㻕㻝㻜㻦㻜㻜䡚㻡 ᪥㻔Ỉ㻕㻝㻣㻦㻝㻜㻌 㻌 㻔㻝㻞 ᭶ 㻠 ᪥㻔ⅆ㻕㻌㻝㻤㻦㻜㻜 䛛䜙᠓ぶ㻕㻌 ሙ䠖㻌 㻌 ⮬↛⛉Ꮫ◊✲ᶵᵓ㻌 ᒸᓮ䝁䞁䝣䜯䝺䞁䝇䝉䞁䝍䞊㻌 㻌 ཧຍ㈝䠖㻌 ↓ᩱ㻌 㻔᠓ぶཧຍ㈝㻌 㻠㻘㻜㻜㻜 ⛬ᗘ㻕㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 䠘㻝㻞 ᭶ 㻟 ᪥䠄᭶䠅䠚㻌 㻝㻜㻦㻜㻜㻙㻝㻞㻦㻜㻡㻌 㻌 ᡓ␎ㄢ㢟䠍㻌 䛂᪂㔞Ꮚ┦䞉᪂≀㉁䛾ᇶ♏⛉Ꮫ䛃䞉㒊య㻌 䠄㻞㻜 ศ䠅䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻣 ௳䠅㻌 㻌 㻝㻞㻦㻜㻡㻙㻝㻟㻦㻠㻡㻌 㻌 ఇ䜏䠄䝁䞊䝠䞊䝤䝺䞊䜽䠅㻌 㻌 㻌 㻝㻟㻦㻠㻡㻙㻝㻠㻦㻝㻡㻌 㻌 ᡓ␎ㄢ㢟䠍䛂᪂㔞Ꮚ┦䞉᪂≀㉁䛾ᇶ♏⛉Ꮫ䛃䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻞 ௳䠅㻌 㻌 㻌 㻝㻠㻦㻝㻡㻙㻝㻡㻦㻟㻡㻌 㻌 ᡓ␎ㄢ㢟䠎㻌 䛂ḟୡ௦ඛ➃䝕䝞䜲䝇⛉Ꮫ䛃䞉㒊య㻌 䠄㻞㻜 ศ䠅䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻠 ௳䠅㻌 㻌 㻌 㻝㻡㻦㻟㻡㻙㻝㻡㻦㻡㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻌 㻌 㻝㻡㻦㻡㻜㻙㻝㻣㻦㻜㻡㻌 㻌 ᡓ␎ㄢ㢟䠎䛂ḟୡ௦ඛ➃䝕䝞䜲䝇⛉Ꮫ䛃䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻡 ௳䠅㻌 㻝㻣㻦㻜㻡㻙㻝㻣㻦㻞㻜㻌 㻌 ᡓ␎ㄢ㢟䠍㻌 䛂᪂㔞Ꮚ┦䞉᪂≀㉁䛾ᇶ♏⛉Ꮫ䛃䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻝 ௳䠅㻌 㻝㻣㻦㻞㻜㻙㻝㻣㻦㻡㻜㻌 㻌 ᣍᚅㅮ₇㻌 䛂㉸୪ิ䛷 㻲㻲㼀 䛿㧗㏿䛻ື䛛䛫䜛䛛䠛䛃㻌 㯮⏣᫂⩏䠄⌮Ꮫ◊✲ᡤ䠅㻌 㻝㻣㻦㻡㻜㻙㻝㻤㻦㻜㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻝㻤㻦㻜㻜㻙㻝㻥㻦㻜㻜㻌 㻌 ウㄽ㻌 䛂ᑗ᮶䛾䝇䝟䝁䞁䛾䛒䜚䛛䛯᳨ウ䛃䠄㻴㻼㻯㻵 䝁䞁䝋䞊䝅䜰䝮ඹദ䠅㻌 㻌 䠘㻝㻞 ᭶ 㻠 ᪥䠄ⅆ䠅䠚㻌 㻥㻦㻜㻜㻙㻝㻜㻦㻟㻡㻌 㻌 㻌 ᡓ␎ㄢ㢟䠏㻌 䛂ศᏊᶵ⬟䛸≀㉁ኚ䛃䞉㒊య㻌 䠄㻞㻜 ศ䠅䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻡 ௳䠅㻌 㻝㻜㻦㻟㻡㻙㻝㻜㻦㻡㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻌 㻌 㻝㻜㻦㻡㻜㻙㻝㻝㻦㻡㻜㻌 㻌 ᡓ␎ㄢ㢟䠏䛂ศᏊᶵ⬟䛸≀㉁ኚ䛃䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻠 ௳䠅㻌 㻝㻝㻦㻡㻜㻙㻝㻞㻦㻞㻜㻌 㻌 ᡓ␎ㄢ㢟䠐㻌 䛂䜶䝛䝹䜼䞊ኚ䛃䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻞 ௳䠅㻌 㻝㻞㻦㻞㻜㻙㻝㻟㻦㻡㻜㻌 㻌 ఇ䜏䠄䝁䞊䝠䞊䝤䝺䞊䜽䠅㻌 㻌 㻌 㻝㻟㻦㻡㻜㻙㻝㻡㻦㻜㻡㻌 㻌 ୍⯡ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻡 ௳䠅㻌 㻝㻡㻦㻜㻡㻙㻝㻡㻦㻞㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻝㻡㻦㻞㻜㻙㻝㻢㻦㻜㻡㻌 㻌 ศ㔝ᣐⅬㄢ㢟㻌 䞉◊✲ㄢ㢟䠄㻝㻡 ศ㻌 㼤㻌㻟 ௳䠅㻌 㻝㻢㻦㻜㻡㻙㻝㻢㻦㻞㻜㻌 㻌 ᡓ␎ㄢ㢟䠐䛂䜶䝛䝹䜼䞊ኚ䛃㻌 䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻝 ௳䠅㻌 㻝㻢㻦㻞㻜㻙㻝㻢㻦㻡㻜㻌 㻌 ᣍᚅㅮ₇㻌 䛂➨୍ཎ⌮ィ⟬䛻ᇶ䛵䛔䛯䝬䝔䝸䜰䝹䝈䞉䜲䞁䝣䜷䝬䝔䜱䜽䝇䛃⏣୰ຌ䠄ி㒔Ꮫ䠅㻌 㻝㻢㻦㻡㻜㻙㻝㻤㻦㻝㻡㻌 㻌 䝫䝇䝍䞊䝉䝑䝅䝵䞁䠃䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻝㻤㻦㻟㻜䡚㻌 㻌 㻌 㻌 ᠓ぶ㻌 㻌 䠘㻝㻞 ᭶ 㻡 ᪥䠄Ỉ䠅䠚㻌 㻌 㻌 㻌 㻥㻦㻜㻜㻙㻝㻜㻦㻟㻡㻌 㻌 ᡓ␎ㄢ㢟䠐㻌 䛂䜶䝛䝹䜼䞊ኚ䛃䞉㒊య㻌 䠄㻞㻜 ศ䠅䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻡 ௳䠅㻌 㻌 㻌 㻝㻜㻦㻟㻡㻙㻝㻜㻦㻡㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻌 㻌 㻝㻜㻦㻡㻜㻙㻝㻝㻦㻡㻜㻌 㻌 ᡓ␎ㄢ㢟䠐㻌 䛂䜶䝛䝹䜼䞊ኚ䛃䞉◊✲ㄢ㢟㻌 䠄㻝㻡 ศ㻌 㼤㻌㻠 ௳䠅㻌 㻌 㻌 㻝㻝㻦㻡㻜㻙㻝㻟㻦㻞㻜㻌 㻌 ఇ䜏䠄䝁䞊䝠䞊䝤䝺䞊䜽䠅㻌 㻌 㻌 㻝㻟㻦㻞㻜㻙㻝㻠㻦㻞㻡㻌 㻌 ᮦᩱᡓ␎ㄢ㢟䞉≉ูᨭㄢ㢟ᥦ䞉㒊య䠄㻞㻜 ศ䠅䞉◊✲ㄢ㢟䠄㻝㻡 ศ㻌 㼤㻌㻟 ௳䠅㻌 23 添付資料 ５ 㻝㻠㻦㻞㻡㻙㻝㻠㻦㻠㻜㻌 㻌 䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻌 㻌 㻝㻠㻦㻠㻜㻙㻝㻡㻦㻠㻜㻌 㻌 ィ⟬≀㉁⛉Ꮫศ㔝⯆㻌 㻌 㻝㻡㻦㻠㻜ࠥ㻌 㻌 㻌 㻌 㛢ᣵᣜ㻌 㻝㻢㻦㻜㻜㻙㻝㻤㻦㻝㻜㻌 㻌 ⏬ᐊ㆟䠄ᢸᙜ⪅䛾䜏䠅㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㼀㻱㻸㻦㻌㻜㻠㻙㻣㻝㻟㻢㻙㻟㻞㻣㻥㻌 㻌 㻌 ௨ୖ㻌 24 添付資料 ５ ሗ࿌᭩䠍䠏㻌 㓄ᕸඛ㻌 సᡂ᪥㻌 㻞㻜㻝㻟 ᖺ 㻝 ᭶ 㻝㻠 ᪥㻌 㛵ಀྛ㻌 ≀ᛶ◊✲ᡤඹྠ⏝䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻞㻟㻌 㻌 ィ⟬≀㉁⛉Ꮫ◊✲䝉䞁䝍䞊㻔㻯㻯㻹㻿㻕㻌 ඖ⣲ᡓ␎䝥䝻䝆䜵䜽䝖㻌 ྜྠ◊✲㻌 㻌 㻌 䛂ィ⟬≀ᛶ≀⌮Ꮫ䛾᪂ᒎ㛤䛃㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻌 㻞㻜㻝㻟 ᖺ 㻝 ᭶㻌 㻝㻜 ᪥䠄ᮌ䠅㻌㻝㻟㻦㻜㻜㻙㻝㻤㻦㻜㻜㻌 㻌 㻝㻝 ᪥䠄㔠㻕㻌㻝㻜㻦㻜㻜㻙㻝㻣㻦㻟㻜㻌 ሙ䠖㻌 㻌 ᮾிᏛ≀ᛶ◊✲ᡤ䠄᯽䜻䝱䞁䝟䝇䠅㻌 䠒㝵ㅮ⩏ᐊ㻌 ᠓ぶ䠖㻌 㻝 ᭶ 㻝㻜 ᪥㻔ᮌ㻕㻌㻝㻤㻦㻜㻜㻙㻌 ᯽䜻䝱䞁䝟䝇ෆ䜹䝣䜵䝔䝸䜰䛻䛶㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䠄ཧຍ㈝䠖㻌 㻠㻘㻜㻜㻜 㻌 㼇Ꮫ⏕ 㻞㻘㻜㻜㻜 㼉䠅㻌 㻌 䛆㛤ദ᪨䛇㻌 ᮏᖺᗘ䛿ඹྠ⏝䝇䝟䝁䞁㻌 㻔㻿㼥㼟㼠㼑㼙㻌㻭㻘㻮㻕㻌 䛾ᑟධᚋ䠏ᖺ┠䜢㏄䛘䜛䛸ඹ䛻ி䝁䞁䝢䝳䞊䝍䛜ඹ⏝䜢㛤ጞ䛧䚸ከ䛟䛾ᡂᯝ䛜ୖ䛜䛳 䛶䛔䜛䚹᮶Ꮨ䛛䜙䛾 㻿㼥㼟㼠㼑㼙㻌 㻯 䛾✌ാ䚸⣙䠎ᖺᚋ䛾 㻿㼥㼟㼠㼑㼙㻌 㻭㻘㻮 䛾᭦᪂䚸ᑗ᮶䛾䜶䜽䝃䝁䞁䝢䝳䞊䝍䛾ฟ⌧䛻䜘䜚䛭䜜䛜䛥䜙䛻ຍ ㏿䛥䜜䜘䛖䛸䛧䛶䛔䜛䚹ඖ⣲ᡓ␎䝥䝻䝆䜵䜽䝖䛾Ⓨ㊊䛸䛔䛖ᙧ䛷ᛂ⏝䛸䛾⤖䜃䛴䛝䛜ᙉ䜎䛳䛶䛔䜛䚹䛣䜜䛛䜙ඛ䚸ィ⟬≀ᛶ≀⌮Ꮫ 䛿䛹䛾䜘䛖䛺Ⓨᒎ䜢㐙䛢䜛䛾䛷䛒䜝䛖䛛䚹ඹྠ⏝䚸ඖ⣲ᡓ␎䚸䜶䜽䝃䝁䞁䝢䝳䞊䝔䜱䞁䜾➼䛾䝥䝻䝆䜵䜽䝖䛷ά㌍୰䛾◊✲⪅䛛 䜙⌧≧䛸䛣䜜䛛䜙䛾ᒎ㛤䛻䛴䛔䛶ㅮ₇䛧䛶䛔䛯䛰䛝䚸䛣䜜䛛䜙䛾ᒎ㛤䜢⪃䛘䜛䛯䜑䛾▷ᮇ◊✲䛸䛧䛯䛔䚹ᮏ◊✲䛿䚸ඹྠ ⏝䝇䝟䝁䞁ᡂᯝሗ࿌䜢ව䛽䜛䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 䠘㻝 ᭶ 㻝㻜 ᪥㻔ᮌ㻕䠚㻌 㻝㻟㻦㻜㻜㻙㻝㻟㻦㻟㻜㻌 㼇≉ูㅮ₇㼉㻌 ᯇᒸ㻌 ⪽䠄ᮾிᕤᴗᏛᏛ⾡ᅜ㝿ሗ䝉䞁䝍䞊䠅㻌 㻌㻌 ᡃ䛜ᅜึ䛾䝨䝍䝣䝻䝑䝥䝇䝇䝟䝁䞁 㼀㻿㼁㻮㻭㻹㻱㻞㻚㻜 䛸 㻟㻚㻜 䜈䛾㐍㻌 㻌 㻌 㻝㻟㻦㻟㻜㻙㻝㻟㻦㻡㻜㻌 㻌 ᐑᓮ㻌 ᕞṇ䠄⟃ἼᏛ䠅㻌 㻌㻌 䜺䝷䝇㌿⛣䛸䝆䝱䝭䞁䜾㌿⛣䛾ᖹᆒሙᥥീ㻌 㻌 㻌 㻝㻟㻦㻡㻜㻙㻝㻠㻦㻝㻜㻌 㻌 ᕝᓮ㻌 ⊛ྐ䠄ி㒔Ꮫ䠅㻌 㻌㻌 㐣෭༷ᾮయ䛻䛚䛡䜛ືⓗᆒ୍ᛶ䛾㝵ᒙᛶ䠖ᵓ㐀㓄⨨㐠ື䛸ప࿘Ἴື㐠ື㻌 㻌 㻌 㻝㻠㻦㻝㻜㻙㻝㻠㻦㻟㻜㻌 㻌 Ἀὠ㻌 ᗣᖹ䠄ᮾிᏛ䠅㻌 㻌㻌 ᐇ㦂䛸䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛 㻟㻘㻠㻘㻡㻘㻢㻘㻤㻘㻝㻞 Ἴ䠴⥺䝢䞁䝩䞊䝹䝖䝫䜾䝷䝣㻌 㻌 㻌 㻝㻠㻦㻟㻜㻙㻝㻠㻦㻡㻜㻌 㻌 ᒸᮏ㻌 ♸ᖾ䠄ྡྂᒇᏛ䠅㻌 㻌㻌 䝇䝢䞁⣔䛚䜘䜃ศᏊ⣔䛾ᣑᙇ䜰䞁䝃䞁䝤䝹䝅䝭䝳䝺䞊䝅䝵䞁㻌 㻌 㻌 㻝㻠㻦㻡㻜㻙㻝㻡㻦㻝㻜㻌 㻌 㻌 㻙㻌 ఇ᠁㻌 㻙㻌 㻌 㻌 㻝㻡㻦㻝㻜㻙㻝㻡㻦㻟㻜㻌 㻌 ⸨㻌 ៅኴ㑻䠄ᮾிᕤᴗᏛ䠅㻌 㻌㻌 䜾䝷䝣䜵䞁䝘䝜ᵓ㐀䛾䝥䝻䞊䝤㢧ᚤ㙾ィ 䛸㟁Ꮚ≧ែィ⟬㻌 㻌 㻌 㻝㻡㻦㻟㻜㻙㻝㻡㻦㻡㻜㻌 㻌 ➟ᯇ㻌 ⚽㍜䠄ᮾிᏛ≀ᛶ◊✲ᡤ䠅㻌 㻌㻌 ㌶㐨ศ㞳ἲ䛻䜘䜛䝘䝜䜻䝱䝟䝅䝍䛾➨୍ཎ⌮䝅䝭䝳䝺䞊䝅䝵䞁㻌 㻌 㻌 㻝㻡㻦㻡㻜㻙㻝㻢㻦㻝㻜㻌 㻌 ྈ㔝㻌 ኸᑗ䠄ᮾிᏛ䠅㻌 㻌㻌 ➨୍ཎ⌮䛻ᇶ䛵䛟 㻵 ᆺ䜽䝷䝇䝺䞊䝖ྜ≀䛾᱁Ꮚ⇕ఏᑟゎᯒ㻌 㻌 㻌 㻝㻢㻦㻝㻜㻙㻝㻢㻦㻟㻜㻌 㻌 ྜྷ⃝㻌 㤶ዉᏊ䠄ᮾிᏛ≀ᛶ◊✲ᡤ䠅㻌 㻌㻌 ᖹ㠃Ἴᇶᗏ➨୍ཎ⌮ィ⟬䝁䞊䝗䛾㛤Ⓨ䛸䝋䞊䝇䝁䞊䝗䛾බ㛤䜈ྥ䛡䛶㻌 㻌 㻌 㻌 㻝㻢㻦㻟㻜㻙㻝㻤㻦㻜㻜㻌 㻌 䝫䝇䝍䞊䝉䝑䝅䝵䞁㻌 㻝㻤㻦㻜㻜㻙㻌 㻌 ᠓ぶ䠄᯽䜻䝱䞁䝟䝇䜹䝣䜵䝔䝸䜰䚸ཧຍ㈝㻌 㻠㻘㻜㻜㻜 㻌 㼇Ꮫ⏕ 㻞㻘㻜㻜㻜 㼉䠅㻌 25 添付資料 ５ 䠘㻝 ᭶ 㻝㻝 ᪥㻔㔠㻕䠚㻌 㻝㻜㻦㻜㻜㻙㻝㻜㻦㻟㻜㻌 㼇ඖ⣲ᡓ␎≉ูㅮ₇㼉㻌 ሙ㻌 ྐᗣ䠄ி㒔Ꮫ䠅㻌 㻌㻌 㓟≀༙ᑟయ䛻䛚䛡䜛ⅬḞ㝗䛾ཎᏊ䞉㟁Ꮚᵓ㐀䛸ᶵ⬟㻌 㻌 㻌 㻝㻜㻦㻟㻜㻙㻝㻝㻦㻜㻜㻌 㼇ඖ⣲ᡓ␎≉ูㅮ₇㼉㻌 ᮾᚋ㻌 ⠜ྐ䠄ி㒔Ꮫ䠅㻌 㻌㻌 ➨୍ཎ⌮䝣䜷䝜䞁ィ⟬䛸⮬ືィ⟬⎔ቃ㻌 㻌 㻌 㻝㻝㻦㻜㻜㻙㻝㻝㻦㻝㻜㻌 㻌 㻌 㻙㻌 ఇ᠁㻌 㻙㻌 㻌 㻌 㻝㻝㻦㻝㻜㻙㻝㻝㻦㻟㻜㻌 㻌 Ώ㑓㻌 ⪽䠄ᮾிᏛ䠅㻌 㻌㻌 㓟䝍䞁䝍䝹ཎᏊ䝇䜲䝑䝏䛻㛵䛩䜛➨୍ཎ⌮ィ⟬㻌 㻌 㻌 㻝㻝㻦㻟㻜㻙㻝㻝㻦㻡㻜㻌 㻌 ᑠ⏣㻌 ❳ᶞ䠄㔠ἑᏛ䠅㻌 㻌㻌 㟁Ꮚῧຍ䛥䜜䛯 㼀㼘㻛㻿㼕㻔㻝㻝㻝㻕⾲㠃䛻䛚䛡䜛ග㟁Ꮚศග䝇䝨䜽䝖䝹䜈䛾⪃ᐹ㻌 㻌 㻌 㻝㻝㻦㻡㻜㻙㻝㻞㻦㻝㻜㻌 㻌 㼇≉ูㅮ₇㼉㻌 ྜྷᮏ㻌 ⰾⱥ䠄㫽ྲྀᏛ䠅㻌 㻌㻌 ィ⟬≀ᛶ≀⌮䛾Ⓨᒎ䛾䛯䜑䛾䝁䞁䝢䝳䞊䝍ά⏝䛾⪃䛘᪉㻌 㻌 㻌 㻝㻞㻦㻝㻜㻙㻝㻟㻦㻝㻜㻌 㻌 㻌 㻙㻌 㣗㻌 㻙㻌 㻌 㻌 㻝㻟㻦㻝㻜㻙㻝㻟㻦㻠㻜㻌 㻌 䝕䜱䝇䜹䝑䝅䝵䞁㻌 㻌㻌 㻝㻟㻦㻠㻜㻙㻝㻠㻦㻜㻜㻌 Ᏹ⏣ᕝ㻌 ᑗᩥ䠄ᮾிᏛ䠅㻌 㻌㻌 䝇䝢䞁䜰䜲䝇ఏᑟ⣔䛾␗ᖖ䝩䞊䝹ຠᯝ㻌 㻌 㻌 㻝㻠㻦㻜㻜㻙㻝㻠㻦㻞㻜㻌 ᰗ℩㻌 㝧୍䠄᪂₲Ꮫ䠅㻌 㻌㻌 䝇䝢䞁୕㔜㡯㉸ఏᑟయ䛾䝇䝢䞁㌶㐨┦స⏝䛸䡀䝧䜽䝖䝹㻌 㻌 㻌 㻝㻠㻦㻞㻜㻙㻝㻠㻦㻠㻜㻌 ᇼ⏣㻌 ㈗Ⴙ䠄㤳㒔Ꮫᮾி䠅㻌 㻌㻌 㟁Ꮚ䞉䝣䜷䝜䞁⣔䛾㏆⸨ຠᯝ䛾ᩘ್⧞䜚㎸䜏⩌ἲ䛻䜘䜛◊✲㻌 㻌 㻌 㻝㻠㻦㻠㻜㻙㻝㻡㻦㻝㻜㻌 㻌 㻌 㻙㻌 䝁䞊䝠䞊䝤䝺䞊䜽㻌 㻙㻌 㻌 㻌 㻝㻡㻦㻝㻜㻙㻝㻡㻦㻟㻜㻌 㻌 ᰗ⃝㻌 Ꮥ䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䠅㻌 㻌㻌 ḟඖ䝝䝞䞊䝗䝰䝕䝹䛾㟁Ꮚ≧ែ䛾ᩘ್ⓗ◊✲㻌 㻌 㻌 㻝㻡㻦㻟㻜㻙㻝㻡㻦㻡㻜㻌 బ⸨㻌 ᖺ⿱䠄ᮾிᏛ≀ᛶ◊✲ᡤ䠅㻌 㻌㻌 䜽䝷䝇䝍ືⓗᖹᆒሙ⌮ㄽ䜢⏝䛔䛯ᙉ┦㛵㟁Ꮚ⣔䛻䛚䛡䜛ගᏛఏᑟᗘ䛾ᩘ್ⓗ◊✲㻌 㻌 㻌 㻝㻡㻦㻡㻜㻙㻝㻢㻦㻜㻜㻌 㻌 㻌 㻙㻌 ఇ㻌 ᠁㻌 㻙㻌 㻌 㻌 㻝㻢㻦㻜㻜㻙㻝㻢㻦㻟㻜㻌 㻌 㼇≉ูㅮ₇㼉㻌㻾㼛㼐㼑㼞㼕㼏㼔㻌㻹㼛㼑㼟㼟㼚㼑㼞㻌㻔㻹㼍㼤㻌㻼㼘㼍㼚㼏㼗㻌㻵㼚㼟㼠㼕㼠㼡㼠㼑㻌㼒㼛㼞㻌㼠㼔㼑㻌㻼㼔㼥㼟㼕㼏㼟㻌㼛㼒㻌㻯㼛㼙㼜㼘㼑㼤㻌㻿㼥㼟㼠㼑㼙㼟㻕㻌 㻌㻌 㻰㼕㼜㼛㼘㼍㼞㻌㼛㼞㼐㼑㼞㻌㼎㼥㻌㼐㼕㼟㼛㼞㼐㼑㼞㻌㼕㼚㻌㼠㼔㼑㻌㼏㼘㼍㼟㼟㼕㼏㼍㼘㻌㼗㼍㼓㼛㼙㼑㻌㻴㼑㼕㼟㼑㼚㼎㼑㼞㼓㻌㼍㼚㼠㼕㼒㼑㼞㼞㼛㼙㼍㼓㼚㼑㼠㻌 㻌 㻌 㻝㻢㻦㻟㻜㻙㻝㻣㻦㻜㻜㻌 㻌 㼇ඖ⣲ᡓ␎≉ูㅮ₇㼉㻌 ᅵᾆ㻌 ᏹ⣖䠄ᮾᏛ䠅㻌 㻌㻌 Ọஂ☢▼ᮦᩱ䛾ಖ☢ຊᶵᵓ䛻㛵䛩䜛ィ⟬≀⌮Ꮫⓗ䜰䝥䝻䞊䝏㻌 㻌 㻌 㻝㻣㻦㻜㻜㻙㻝㻣㻦㻟㻜㻌 㻌 㼇ඖ⣲ᡓ␎≉ูㅮ₇㼉㻌 Ᏻ⸨㻌 ᗣఙ䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䠅㻌 㻌㻌 ḟୡ௦ḟ㟁ụ㛤Ⓨ䛻ྥ䛡䛯 㼍㼎㻌㼕㼚㼕㼠㼕㼛㻌㻹㻰 ཬ䜃 㻵㼚㼒㼛㼞㼙㼍㼠㼕㼏㼟 䛻䜘䜛ྲྀ䜚⤌䜏㻌 㻌 䛆ദ䛇㻌 ≀ᛶ◊✲ᡤ䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍ඹྠ⏝㻌 ≀ᛶ◊✲ᡤ㝃ᒓィ⟬≀㉁⛉Ꮫ◊✲䝉䞁䝍䞊㻔㻯㻯㻹㻿㻕㻌 ᩥ㒊⛉Ꮫ┬ඖ⣲ᡓ␎䝥䝻䝆䜵䜽䝖㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㼀㻱㻸㻦㻌㻜㻠㻙㻣㻝㻟㻢㻙㻟㻞㻣㻥㻌 㻌 㻌 ௨ୖ㻌 26 添付資料 ５ ሗ࿌᭩䠍䠐㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 㻹㻼㻵 䝥䝻䜾䝷䝭䞁䜾ㅮ⩦㻌 సᡂ᪥㻌 㻞㻜㻝㻟 ᖺ 㻝 ᭶ 㻝㻢 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻞㻠㻌 㻌 㻌 㻌 సᡂ㻌 㻯㻹㻾㻵 ົᒁ㻌 㛛⬥㻌 㻌 䛆㛤ദ䛇㻌 ᪥㻌 䠖㻌 ᖹᡂ 㻞㻡 ᖺ 㻝 ᭶ 㻝㻡 ᪥䠄ⅆ䠅㻥䠖㻟㻜䡚㻝㻣䠖㻟㻜㻌 ሙ㻌 ᡤ䠖㻌 ᕞᏛ㻌 ሗᇶ┙◊✲㛤Ⓨ䝉䞁䝍䞊㻌 㻟 㝵ከ┠ⓗㅮ⩦ᐊ䠄⚟ᒸᕷᮾ༊⟽ᓮ 㻢㻙㻝㻜㻙㻝㻌 ⟽ᓮ䜻䝱䞁䝟䝇䠅㻌 ᐃ㻌 ဨ䠖㻌 㻡㻜㻙㻢㻜 ྡ⛬ᗘ䠄ඛ╔㡰䠅㻌 ㅮ㻌 ᖌ䠖㻌 㟷ᒣᖾஓẶ㻌 㧗ᗘሗ⛉Ꮫᢏ⾡◊✲ᶵᵓ㻔㻾㻵㻿㼀㻕⚄ᡞ䝉䞁䝍䞊㻌 ཷㅮᩱ䠖㻌 ↓ᩱ㻌 ദ䠖㻌 ᮾᏛ㔠ᒓᮦᩱ◊✲ᡤ㻌 ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ䠄㻯㻹㻾㻵䠅㻌 ඹദ䠖㻌 ᕞᏛሗᇶ┙◊✲㛤Ⓨ䝉䞁䝍䞊䚸㧗ᗘሗ⛉Ꮫᢏ⾡◊✲ᶵᵓ䠄㻾㻵㻿㼀䠅㻌 ୡヰே䠖㻌 す⏣ඛ⏕䠄ᕞᏛ䠅䠈┾ᒣ๛ඛ⏕䠄⇃ᮏᏛ䠅䠈ᚨỌ㎮ஓඛ⏕䠄㮵ඣᓥᏛ䠅䚸㇂༤ྖඛ⏕䠄ᕞᕤᴗᏛ䠅㻌 㻌 㻌 䛆䝔䜻䝇䝖䛇㻌 ࣭ࠕࢳ࣮ࣗࢽࣥࢢᢏἲධ㛛ࠖ 㸦ᪧࠕࢳ࣮ࣗࢽࣥࢢᢏἲࡢᕳࠖ 㸧 ࣭ࠕ୪ิࣉࣟࢢ࣑ࣛࣥࢢධ㛛 MPI ∧ࠖ 㸦ᪧࠕ୪ิࣉࣟࢢ࣑ࣛࣥࢢࡢᕳ MPI ∧ࠖ 㸧 ࣭ࠕிࠖࡢ⏘ᴗ⏝㛵ࡍࡿࡈ⤂ 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻾㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼏㼙㼞㼕㻬㼕㼙㼞㻚㼠㼛㼔㼛㼗㼡㻚㼍㼏㻚㼖㼜㻌 㻌 ദ䠖ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ䠄㻯㻹㻾㻵䠅㻌 ௨ୖ㻌 27 添付資料 ５ ሗ࿌᭩䠍䠑㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ㻌 ➨ 㻞 ᅇ䝅䞁䝫䝆䜴䝮㻌 సᡂ᪥㻌 㻞㻜㻝㻟 ᖺ 㻝 ᭶ 㻞㻟 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻞㻡㻌 㻌 㻌 㻌 సᡂ㻌 㻯㻹㻾㻵 ົᒁ㻌 㛛⬥㻌 㻌 䛆㛤ദ䛇㻌 ᪥⛬䠖ᖹᡂ 㻞㻡 ᖺ 㻝 ᭶ 㻞㻝 ᪥䠄᭶䠅䚸㻝 ᭶ 㻞㻞 ᪥䠄ⅆ䠅㻌 ሙᡤ䠖ᮾᏛ㻌 㔠ᒓᮦᩱ◊✲ᡤ㻌 㻞 ྕ㤋ㅮᇽ㻌 ᠓ぶ䠖㻝 ᭶ 㻞㻝 ᪥䠄᭶䠅㻌 䚸ᮾᏛ㔠ᒓᮦᩱ◊✲ᡤ 㻞 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㝣ඛ➃⛉Ꮫᢏ⾡Ꮫ㝔Ꮫ 12㸸00 㕲㗰ᮦᩱ◊✲࠾ࡅࡿ➨୍ཎ⌮ィ⟬ࡢ⏝ࡢ⌧≧ᑗ᮶ᒎᮃ ሯ⚽ᖾ ≀㉁࣭ᮦᩱ◊✲ᶵᵓ ᙉ☢ሙࢫࢸ࣮ࢩࣙࣥ 13㸸30 ࠙≉ูㅮ₇ࠚ⭉㣗㜵㣗ศ㔝࡛ࡢィ⟬⛉Ꮫࡢ⌧≧ᑗ᮶ᒎ㛤 ⸨ᮏៅྖ 㜰ᏛᏛ㝔ᕤᏛ◊✲⛉ ەᅜ㝿ࢭࢵࢩࣙࣥ 14㸸15 Phase-field formulation for heterogeneous systems and its implementation into the OpenPhase library Ingo Steinbach &Oleg Shchyglo ICAMS, Ruhr-University, Germany 15㸸00 Down to the core of TOMBO: Hyperfine interactions and beyond M. Sluiter, Delft Univ. of Technology 15㸸45 Ab initio simulations of paramagnetic state: effects of temperature and electron correlations. Igor Abrikoso, Department of Physics and Measurement Technology (IFM), Linköpings University 16㸸30 㛢ࡢᣵᣜ ẟဴኵ ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ㛗 ᾏ㐨Ꮫ㸭ᮾᏛ㔠ᒓᮦᩱ◊✲ᡤ 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻾㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼏㼙㼞㼕㻬㼕㼙㼞㻚㼠㼛㼔㼛㼗㼡㻚㼍㼏㻚㼖㼜㻌 㻌 ദ䠖ィ⟬ᮦᩱ⛉Ꮫ◊✲ᣐⅬ䠄㻯㻹㻾㻵䠅㻌 ௨ୖ㻌 29 添付資料 ５ ሗ࿌᭩䠍䠒㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 㼀㻯㻯㻵㻌 ➨ 㻞 ᅇ⏘Ꮫ㐃ᦠ䝅䞁䝫䝆䜴䝮㻌 సᡂ᪥㻌 㻞㻜㻝㻟 ᖺ 㻝 ᭶ 㻞㻡 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻞㻢㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥㻌 䠖㻌 㻌 㻞㻜㻝㻟 ᖺ 㻝 ᭶ 㻞㻠 ᪥㻔ᮌ㻕㻌㻝㻟㻦㻟㻜䡚㻝㻣㻦㻟㻡 ཬ䜃᠓ぶ㻌 ሙ㻌 ᡤ䠖㻌 㻌 㜰Ꮫ୰அᓥ䝉䞁䝍䞊㻝㻜 㝵㻌 బᩗ୕䝯䝰䝸䜰䝹䝩䞊䝹㻌 ཧຍ㈝䠖㻌 㻌 ↓ᩱ㻌 䠄ణ䛧䚸᠓ぶ䛿 㻡㻘㻜㻜㻜 䠅㻌 ᠓ぶ䠖㻌 㻌 㻥 㝵㻌 ㆟ᐊ 㻝䚸㻞㻌 㻌 ദ䠖㻌 㻌 㻌ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ㻌 ඹ㻌 㻌 ദ䠖㻌 㻌 ㈈ᅋἲேィ⟬⛉Ꮫ⯆㈈ᅋ㻌 䝇䞊䝟䞊䝁䞁䝢䝳䞊䝔䜱䞁䜾ᢏ⾡⏘ᴗᛂ⏝༠㆟㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 ᗙ㛗䠖㻌 ኴ⏣㻌 ᾈ㻔ி㻌 ゐ፹䞉㟁ụඖ⣲ᡓ␎䠅㻌 㻌 㻌 䝉䝑䝅䝵䞁 㻝䠖ி⏝䛸ᴗ䛾ᮇᚅ䛸ேᮦ㻌 㻝㻟㻦㻟㻜䠉㻝㻟㻦㻟㻡㻌 㻌 㛤䛾㎡㻌 㻌 㧗ሯ㻌 ኵ䠄ᮾ㝔⥲ྜᩥ䠋ศᏊ◊䠅㻌 㻌 㻝㻟㻦㻟㻡䠉㻝㻟㻦㻠㻜㻌 㻌 䛤ᣵᣜ㻌 㻌 㧗⏣㻌 ❶䠄䝇䞊䝟䞊䝁䞁䝢䝳䞊䝔䜱䞁䜾ᢏ⾡⏘ᴗᛂ⏝༠㆟䠋᪫◪Ꮚᰴᘧ♫䠅㻌 㻌 㻝㻟㻦㻠㻜䠉㻝㻠㻦㻝㻜㻌 㻌 䛂つᶍศᏊ⣔䛾㔞ᏊᏛィ⟬䛃㻌 㻌 ᾆ㻌 ኵ䠄⚄ᡞ㝔䝅䝇䝔䝮ሗ䠅㻌 㻌 㻝㻠㻦㻝㻜䠉㻝㻠㻦㻠㻜㻌 㻌 䛂㻰㻿㻼 䛻䛚䛡䜛䝇䝟䝁䞁ி䛾⏝䛃㻌 㻌 ᒣᓮ㻌 ୍ே䠄᪥ᮏఫ〇⸆ᰴᘧ♫䠅㻌 㻌 㻝㻠㻦㻠㻜䠉㻝㻡㻦㻝㻜㻌 㻌 䛂㻲㻻㻯㼁㻿㻌 䡚䝇䝟䝁䞁⏘ᴗ⏝䜈䛾ྲྀ䜚⤌䜏䡚䛃㻌 㻌 Ᏻ㻌 ᏹ䠄㈈ᅋἲேィ⟬⛉Ꮫ⯆㈈ᅋ䠅㻌 㻌 㻌 ᗙ㛗䠖㻌 㧗ሯ㻌 ኵ䠄ᮾ㝔⥲ྜᩥ䠋ศᏊ◊䠅㻌 㻌 㻌 䝉䝑䝅䝵䞁 㻞䠖Ꮫ䛾ఱ䛜ᙺ䛻❧䛳䛯䛛䠛㻌 㻝㻡㻦㻟㻜䠉㻝㻡㻦㻡㻜㻌 䛂ᴗ䛻䛚䛡䜛ィ⟬Ꮫ◊✲䜢㏻䛧䛶ឤ䛨䛯䛣䛸䠉Ꮫ䛷Ꮫ䜣䛰䛣䛸䜢䛔䛛䛻ᙺ❧䛶䜛䛛䠉䛃㻌 㻌 ⏿㻌 㞞ᘯ䠄ᮾ䝺ᰴᘧ♫䠅㻌 㻌 㻝㻡㻦㻡㻜䠉㻝㻢㻦㻝㻜㻌 䛂ᴗ䛾◊✲㛤Ⓨ䛸ィ⟬Ꮫ䛃㻌 㻌 ㉺ᬛ㻌 ⣖❶䠄᪂᪥㕲ఫ㔠Ꮫᰴᘧ♫䠅㻌 㻌 㻝㻢㻦㻝㻜䠉㻝㻢㻦㻟㻜㻌 䛂ィ⟬⛉Ꮫ䛿ᴗ䛷ᙺ䛻❧䛴䛃㻌 㻌 ⃝⏣㻌 ᩄᙪ䠄ᐩኈ䝣䜲䝹䝮ᰴᘧ♫䠅㻌 㻌 㻝㻢㻦㻟㻜䠉㻝㻢㻦㻡㻜㻌 䛂⏘Ꮫ㐃ᦠ䛾⌧ሙ䛛䜙Ꮫᩍ⫱䜢䜚㏉䜛䛃㻌 㻌 ⬥㻌 䠄᪥⏘⮬ື㌴ᰴᘧ♫䠅㻌 㻌 㻝㻢㻦㻡㻜䠉㻝㻣㻦㻞㻜㻌 య㉁㻌 㻌 㻝㻣㻦㻞㻜䠉㻝㻣㻦㻟㻡㻌 ᮏ᪥䛾䜎䛸䜑㻌 䠄㼀㻯㻯㻵䠅㻌 㻌 㻌 㻝㻣㻦㻡㻜䠉㻝㻥㻦㻞㻜㻌 ᠓ぶ䠄ሙᡤ䠖㜰Ꮫ㻌 ୰அᓥ䝉䞁䝍䞊㻌 㻥 㝵㻌 ㆟ᐊ 㻝䚸㻞䠅㻌 㻌 30 添付資料 ５ 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬົᒁ㻌 㟁ヰ䠖㻜㻡㻢㻠㻙㻡㻡㻙㻣㻜㻣㻠䠄Ⓨಙ㡢䛾ᚋ䚸ᬻ䛟䛚ᚅ䛱䛟䛰䛥䛔䠅㻌 㻲㼍㼤㻦㻌㻜㻡㻢㻠㻙㻡㻠㻙㻞㻞㻡㻠㻔௦⾲㻕㻘㻌㻜㻡㻢㻠㻙㻡㻡㻙㻣㻜㻣㻠䠄Ⓨಙ㡢䛾ᚋ䠅㻡㻟㻌 㻱㻙㼙㼍㼕㼘㻦㻌㼠㼏㼏㼕㻙㼛㼒㼒㼕㼏㼑䠜㼥㼒㼑㼜㻞㻚㼕㼙㼟㻚㼍㼏㻚㼖㼜㻌 㻌 㻌 ௨ୖ㻌 31 添付資料 ５ ሗ࿌᭩䠍䠓㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ➨䠐ᅇ㻌 㻯㻹㻿㻵 ⏘ᐁᏛ㐃⥆◊✲㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻡 ᭶ 㻥 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻜㻞㻌 䛂⏘ᴗ⏺䛻䛚䛡䜛 㻻㻯㼀㻭 ά⏝䛾⌧≧䛃㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥⛬䠖㻌 㻌 㻌 ᖹᡂ䠎䠐ᖺ䠑᭶䠔᪥䠄ⅆ䠅㻌 㻝㻟㻦㻜㻜䡚㻝㻣㻦㻜㻜㻌 ሙ䠖㻌 㻌 㻌 ⛅ⴥཎ䝎䜲䝡䝹䠑㝵㻌 䜹䞁䝣䜯䝺䞁䝇䝣䝻䜰䠑㻮㻌 ཧຍ㈝䠖㻌 ↓ᩱ㻌 㻌 䛆㛤ദ᪨䛇㻌 ᅇ䛾◊✲䛿䚸䝋䝣䝖䝬䝔䝸䜰䝹䝅䝭䝳䝺䞊䝅䝵䞁ศ㔝䛷ά⏝䛥䜜䛶䛔䜛 㻻㻯㼀㻭 䜢ྲྀ䜚ୖ䛢䜎䛧䛯䚹㻞㻜㻜㻞 ᖺ䚸⤒῭⏘ᴗ┬ฟ㈨ 䛾䛂㧗ᶵ⬟ᮦᩱタィ䝥䝷䝑䝖䝣䜷䞊䝮䛾◊✲㛤Ⓨ䠄㏻⛠㻌 ᅵ䝥䝻䝆䜵䜽䝖䠅䛃⤊䛻බ㛤䛥䜜䛯 㻻㻯㼀㻭 䛿䚸㻝㻜 ᖺ⤒䛳䛯⌧ᅾ䛷 䜒䝯䞁䝔䝘䞁䝇䚸䝞䞊䝆䝵䞁䜰䝑䝥䛜⥅⥆䛥䜜䛶䛚䜚䚸ከ䛟䛾䝴䞊䝄䞊䛜⏝䛧䛶䛔䜎䛩䚹䛣䜜䛿䚸䛣䜜䜎䛷䛻ᅜᐙ䝥䝻䝆䜵䜽䝖䛾 ᡂᯝ≀䛸䛧䛶බ㛤䛥䜜䛯䝋䝣䝖䜴䜶䜰䛾୰䛷䛿䚸୍䛴䛾ᡂຌ䛷䛒䜛䛸䛔䛘䜎䛩䚹䛭䛾 㻻㻯㼀㻭 䜢ᨭ䛘䛶䛝䛯䝁䞁䝉䝥䝖䚸⤌⧊䚸ே ᮦ䜢⤂䛩䜛䛣䛸䛻䜘䜚䚸ᚋ䛾䝋䝣䝖䜴䜶䜰䛾⥔ᣢ䚸Ⓨᒎ䛻ᑐ䛩䜛ྲྀ䜚⤌䜏䛾ཧ⪃䛻䛷䛝䜜䜀䛸ᛮ䛔䜎䛩䚹ⓙᵝዧ䛳䛶䛤ཧຍ䛟 䛰䛥䛔䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 㻌 㻝㻟䠖㻜㻜㻙㻝㻟䠖㻠㻡㻌 㻌 㻌 㻻㻯㼀㻭䠖䜸䞊䝥䞁䛺ィ⟬⛉Ꮫ䝒䞊䝹䜢䜑䛦䛧䛶㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᅵ㻌 ṇ⏨㻌 䠄䠄㈈䠅㇏⏣⌮Ꮫ◊✲ᡤ䠅㻌 㻌 㻝㻟䠖㻠㻡㻙㻝㻠䠖㻟㻜㻌 㻌 㻌 ᴗ◊✲⪅䛻䜘䜛 㻻㻯㼀㻭 ά⏝䛾䛯䜑䛾άື⤂㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᒣᮏ㻌 ᬛ㻌 䠄䠄ᰴ䠅㇏⏣୰ኸ◊✲ᡤ䠅㻌 㻝㻡䠖㻜㻜㻙㻝㻡䠖㻠㻡㻌 㻌 㻌 ၟ⏝∧ 㻶㻙㻻㻯㼀㻭 䛾⌧≧䛸䝴䞊䝄䞊ືྥ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᑠἑ㻌 ᣅ㻌 䠄䠄ᰴ䠅㻶㻙㻿㻻㻸䠅㻌 㻝㻡䠖㻠㻡㻙㻝㻢䠖㻟㻜㻌 㻌 㻌 㻿㼁㻿㻴㻵䠄㻯㻗㻗䝁䞊䝗䠅䛾୪ิ㻌 㻙㻙㻌 㻯㻗㻗䝁䞊䝗䛿୪ิ䛻ྥ䛔䛶䛔䜛㻌 㻙㻙㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᮏ⏣㻌 㝯㻌 䠄᪥ᮏ䝊䜸䞁䠄ᰴ䠅䠅㻌 㻝㻢䠖㻟㻜㻙㻝㻣䠖㻜㻜㻌 㻌 㻌 ウㄽ䛸䜎䛸䜑㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㟷ᰗ㻌 ᓅྖ㻌 䠄᪫ᡂ䠄ᰴ䠅䠅㻌 㻌㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㻌 ദ䠖ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䠄㻯㻹㻿㻵䠅㻌 ⏬䠖㻌 ⏘ᐁᏛ㐃ᦠᑠጤဨ㻌 㻌 㻌 ௨ୖ㻌 32 添付資料 ５ ሗ࿌᭩䠍䠔㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ➨䠑ᅇ㻌 㻯㻹㻿㻵 ⏘ᐁᏛ㐃⥆◊✲㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻞㻡 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻞㻞㻌 䡚ཎᏊ䝇䜿䞊䝹䝅䝭䝳䝺䞊䝅䝵䞁䛛䜙 㼀㻯㻭㻰 䜈䡚㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻌 㻞㻜㻝㻞 ᖺ 㻝㻞 ᭶ 㻞㻝 ᪥䠄㔠䠅㻌 㻝㻟㻦㻟㻜㻌㻙㻌㻝㻣㻦㻜㻜㻌 ሙ䠖㻌 㻌 ⛅ⴥཎ䝎䜲䝡䝹䠑㝵㻌 䜹䞁䝣䜯䝺䞁䝇䝣䝻䜰㻌 㻡㻭㻌 ㈝䠖㻌 㻌 ↓ᩱ㻌 ദ䠖㻌 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䠄㻯㻹㻿㻵䠅㻌 ⏬䠖㻌 ⏘ᐁᏛ㐃ᦠᑠጤဨ㻌 㻌 䛆㛤ദ᪨䛇㻌 ༙ᑟయ䝕䝞䜲䝇䛾ᵓ㐀䜔సᡂ᮲௳䛾᭱㐺䜢⾜䛺䛖 㼀㻯㻭㻰䠄㼀㼑㼏㼔㼚㼛㼘㼛㼓㼥㻌㻯㻭㻰㻌 㻔㻯㼛㼙㼜㼡㼠㼑㼞㻌㻭㼕㼐㼑㼐㻌㻰㼑㼟㼕㼓㼚㻕䠅䛿䚸䝅䝭䝳䝺䞊䝅䝵䞁 ᢏ⾡䛾⏘ᴗ⏝䛾୍䛴䛾ᆺ䛷䛩䚹䛭䛾ᇶᮏⓗ䛺⪃䛘᪉䜔ᴗ䛷䛾ලయ䛺⏝䛻ゐ䜜䜛䛣䛸䛿䚸༙ᑟయศ㔝እ䛾◊✲ ⪅䛻䛸䛳䛶䜒䚸䝅䝭䝳䝺䞊䝅䝵䞁䛾⏘ᴗᛂ⏝䜢⪃䛘䜛䛖䛘䛷䛔䛻ཧ⪃䛻䛺䜛䛸ᛮ䜟䜜䜎䛩䚹㻌 ༙ᑟయศ㔝䛻䛚䛔䛶䛿䚸䝕䝞䜲䝇䛾ᚤ⣽䛸᪂ᮦᩱ䛾ᑟධ䛜㐍䜏䚸䛥䜙䛻᪂ᶵ⬟䞉᪂ᵓ㐀䝕䝞䜲䝇䛾◊✲㛤Ⓨ䛜㐍䜐୰䚸ཎ Ꮚ䝇䜿䞊䝹䜎䛷ໟᣓ䛧䛯 㻯㻭㻰 䜈䛾ᮇᚅ䛿௨๓䛻䜒ቑ䛧䛶䛝䛟䛺䛳䛶䛔䜎䛩䚹䛧䛛䛧䚸ᴗ䛷䛾⏝䛻䛒䛯䛳䛶䛿䚸ィ⟬㛫䚸 ィ⟬つᶍ䛾ၥ㢟䚸䝬䝹䝏䝇䜿䞊䝹䚸䝬䝹䝏䝣䜱䝆䜽䝇䜈䛾ྲྀ䜚㎸䜏䛺䛹䚸ㄢ㢟䛿ᒣ✚䛧䛶䛔䜎䛩䚹㻌 ᅇ䛾⏘ᐁᏛ㐃⥆◊✲䛷䛿䚸ᴗ䛷䝘䝜䝕䝞䜲䝇䛻ẚ㍑ⓗ㏆䛔㡿ᇦ䛷ά㌍䛧䛶䛔䜙䛳䛧䜓䜛䝅䝭䝳䝺䞊䝅䝵䞁ศ㔝䛾ᑓ㛛ᐙ 䛾᪉䚻䛻䛤ㅮ₇䜢䛚㢪䛔䛧䚸ィ⟬≀㉁⛉Ꮫศ㔝䛾◊✲⪅䛸䛾㆟ㄽ䜢㏻䛨䛶䚸ㄢ㢟ඞ᭹䛾䛯䜑䛾᪉⟇䜔䚸ᑗ᮶䛾⏘ᴗᛂ⏝䛻ྥ 䛡䛯䝅䝭䝳䝺䞊䝅䝵䞁䝒䞊䝹䛾㐃ᦠ䚸⤫ྜ䚸య⣔䛺䛹䛻䛴䛔䛶⪃䛘䜛ᶵ䜢タ䛡䜎䛧䛯䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 㻝㻟䠖㻟㻜䠉㻝㻟䠖㻟㻡㻌 ⏬䛾㊃᪨㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ⏘ᐁᏛ㐃ᦠᑠጤဨጤဨ䠋䠄ᰴ䠅ᐩኈ㏻◊✲ᡤ㻌 㔠⏣㻌 ༓✑Ꮚ㻌 㻝㻟䠖㻟㻡䠉㻝㻠䠖㻞㻜㻌 ⏘ᴗ⏺䛛䜙䜏䛯༙ᑟయ䝅䝭䝳䝺䞊䝅䝵䞁䛾䝙䞊䝈㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᐩኈ㏻䝉䝭䝁䞁䝎䜽䝍䞊䠄ᰴ䠅㻌 㻌 బ⸨㻌 ᡂ⏕㻌 㻝㻠䠖㻞㻜䠉㻝㻡䠖㻜㻡㻌 ➨୍ཎ⌮ィ⟬䛸䝘䝜䝕䝞䜲䝇䛻䛚䛡䜛⏺㠃䜶䞁䝆䝙䜰䝸䞁䜾㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䠄ᰴ䠅ᮾⰪ㻌 ▼ཎ㻌 ㈗ග㻌 㻝㻡䠖㻜㻡䠉㻝㻡䠖㻞㻡㻌 䠄ఇ᠁䠅㻌 㻝㻡䠖㻞㻡䠉㻝㻢䠖㻝㻜㻌 䝣䝹䝞䞁䝗䞉䝕䝞䜲䝇䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛䜻䝱䝸䜰㍺㏦≉ᛶゎᯒ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝹䝛䝃䝇䜶䝺䜽䝖䝻䝙䜽䝇䠄ᰴ䠅㻌 㻌 ➉⏣㻌 ⿱㻌 㻝㻢䠖㻝㻜䠉㻝㻢䠖㻡㻡㻌 㻌 ពぢ㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䠄ྖ䠅㻌 㻌 䠄ᰴ䠅ᐩኈ㏻◊✲ᡤ㻌 㻌 㔠⏣㻌 ༓✑Ꮚ㻌 㻝㻢䠖㻡㻡㻌 䇵㻌 㻝㻣㻦㻜㻜㻌 㻌 䜎䛸䜑㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ⏘ᐁᏛ㐃ᦠᑠጤဨጤဨ㛗䠋䠄⊂䠅⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ㻌 ὸ㻌 ⨾༤㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㼀㻱㻸㻦㻌㻜㻠㻙㻣㻝㻟㻢㻙㻟㻞㻣㻥㻌 ௨ୖ㻌 33 添付資料 ５ ሗ࿌᭩䠍䠕 㓄ᕸඛ సᡂ᪥㻌 2013 ᖺ 3 ᭶ 8 ᪥ No.㻌 CMSI-12-34 㛵ಀྛ ➨䠒ᅇ CMSI ⏘ᐁᏛ㐃⥆◊✲ సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥⛬䠖㻌 㻌 㻌 ᖹᡂ䠎䠑ᖺ䠏᭶䠍䠎᪥䠄ⅆ䠅㻌 10:30䡚17:15 ሙ䠖㻌 㻌 㻌 ⛅ⴥཎ UDX㻌 䜹䞁䝣䜯䝺䞁䝇㻌 䠄UDX ༡䜴䜱䞁䜾䠒㝵䠅 ཧຍ㈝䠖㻌 ↓ᩱ㻌 䠄ពぢཧຍ㈝䠖3000 䠅 ᐃဨ䠖㻌 㻌 㻌 120 ྡ 䛆㛤ദ᪨䛇 ┬䜶䝛ᢏ⾡䛿㝶ศ䛸㐍Ṍ䛧䛶䛔䜎䛩䛜䚸䛭䜜䛷䜒䛺䛚ᮍ⏝䛾䜶䝛䝹䜼䞊䛜♫䛻ከ䛟⇕䛥䜜䛶䛔䜎䛩䚹䠍䠌䠌䉝๓ᚋ䛾ᅇ 䛜㞴䛧䛔ప 䞉ప㉁䛺⇕䜒ྵ䜑䜛䛸♫య䛷䛿⭾䛺⇕㔞䛻䛺䜛䛸ゝ䜟䜜䛶䛔䜎䛩䚹䛭䜜䜢ᅇ⏝䛩䜛ᢏ⾡䚸䛘䜀 ⇕㟁ᢏ⾡䚸⇕ᢏ⾡䚸᩿⇕ᢏ⾡䚸䝠䞊䝖䝫䞁䝥ᢏ⾡➼䛿ྂ䛟䛛䜙▱䜙䜜䛶䛔䜎䛩䛜䚸ᗈ䛟ᬑཬ䛧䛶䛔䜛ヂ䛷䛿䛒䜚䜎䛫䜣䚹䛣䜜䜙 䛾ᢏ⾡䛾㣕㌍ⓗ䛺ᛶ⬟ྥୖ䜢ᐇ⌧䛩䜛䛻䛿䚸㠉᪂ⓗ䛺㒊ᮦ䛾ฟ䛜ᚲせ䛷䛩䚹䛣䛾䜘䛖䛻䚸㒊ᮦ㛤Ⓨ䛻䛝䛺䝻䞊䝗䛜䛛䛛䜛 ሙྜ䚸ᚑ᮶䛾ᶍ⣴ⓗ䛺ᐇ㦂ᮦᩱ᥈⣴䛾䜏䛷䛿ᅔ㞴䛜ண䛥䜜䜎䛩䚹䛣䛾ᵝ䛻䚸䛣䛾ศ㔝䛷䛿ィ⟬䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛ᮦᩱ 䝇䜽䝸䞊䝙䞁䜾䛻ᑐ䛩䜛ᮇᚅ䛜䛝䛟㧗䜎䛳䛶䛔䜎䛩䚹 ᮏ◊✲䛷䛿䛣䜜䜙䛾ၥ㢟䛻┤㠃䛧䛶䛔䜛ᴗ䛾ᐇ㦂㛤Ⓨ⌧ሙ䛾◊✲⪅䛸⌮ㄽ䞉䝅䝭䝳䝺䞊䝅䝵䞁◊✲䜢⾜䛳䛶䛔䜛Ꮫ䞉◊✲ ᶵ㛵䛾◊✲⪅䛾ᑐヰ䜢ಁ䛧䚸ィ⟬䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛ᮦᩱ䝇䜽䝸䞊䝙䞁䜾䛾ᒎᮃ䜢㆟ㄽ䛩䜛䛝䛳䛛䛡䛻䛧䛯䛔䛸ᛮ䛔䜎䛩䚹 䛆䝥䝻䜾䝷䝮䛇 10:30-10:35㻌 䛂䛿䛨䜑䛻䛃㻌 㻌 ὸ ⨾༤ 䠄CMSI ⏘ᐁᏛ㐃ᦠᑠጤဨ䞉ጤဨ㛗䠅 10䠖35-10䠖50㻌 㻌 䛂ᮍ⏝⇕䛾㠉᪂ⓗ⏝䛻ྥ䛡䛶䇷ᮦᩱ䝅䝭䝳䝺䞊䝅䝵䞁䜈䛾ᮇᚅ䇷䛃 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᑠཎ ᙪ 䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䞉䜶䝛䝹䜼䞊ᢏ⾡ RI䠅 10䠖50-11䠖20㻌 㻌 䛂⮬ື㌴䛻䛚䛡䜛⇕ᢏ⾡䛃㻌 㻌 ᚿ‶ὠ Ꮥ 䠄㇏⏣୰ኸ◊✲ᡤ䠅 11䠖20-11䠖50㻌 㻌 䛂ᐩኈ䝣䜲䝹䝮䛾⇕䝬䝛䝆䝯䞁䝖ᢏ⾡䛸㧗ᶵ⬟ᮦᩱ䛃㻌 㻌 㟷ྜ ᫂ 䠄ᐩኈ䝣䜲䝹䝮䠅 13䠖15-13䠖45㻌 㻌 䛂⇕䞉 ᗘ䜢ไᚚ䛷䛝䜛䜶䝷䝇䝖䝬䞊⣔⇕ᮦ䛃㻌 㻌 ణᮌ ⛱ᘯ 䠄JSR䠅 13䠖45-14䠖15㻌 㻌 䛂⏘ᴗศ㔝䛻䜏䜛⇕ᐇែ䛸⇕ᮦ/⇕፹䛻䜘䜛⇕ᅇ䛾䝫䝔䞁䝅䝱䝹䛃 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ▼⏣ ㇏ 䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䞉䝘䝜䝅䝇䝔䝮 RI䠅 14䠖15-14䠖45㻌 㻌 䛂䜽䝷䝇䝺䞊䝖䝝䜲䝗䝺䞊䝖䛾ከᙧ䛸෭፹䛸䛧䛶䛾ྍ⬟ᛶ䛃㻌 㻌 ⏣୰ ⚽ᶞ 䠄ᒸᒣᏛ䞉⌮Ꮫ㒊䠅 䞉䞉䞉䝁䞊䝠䞊䝤䝺䜲䜽䞉䞉䞉 15䠖00-15䠖30㻌 㻌 䛂⎔ቃప㈇Ⲵ⇕㟁ኚᮦᩱ䝩䜲䝇䝷䞊ྜ㔠ⷧ⭷䛾⇕㟁ᛶ⬟䛃 㻌㻌㻌㻌㻌㻌㻌㻌㻌 ᪩ᕝ ⣧ 䠄᪥❧〇సᡤ䞉୰ኸ◊✲ᡤ䠅 15䠖30-16䠖00㻌 㻌 䛂䝘䝜⤖ᬗᮦᩱ䛾⇕ఏᑟ䝅䝭䝳䝺䞊䝅䝵䞁䛃㻌 㻌 ሷぢ ῟୍㑻 䠄ᮾிᏛ䞉Ꮫ㝔ᕤᏛ⣔◊✲⛉䠅 16䠖00-16䠖30㻌 㻌 䛂䜽䝷䝇䝺䞊䝖ྜ≀ BGG, BGS 䛾⇕ఏᑟ䝅䝭䝳䝺䞊䝅䝵䞁䛃㻌 㻌 ᖖ⾜ ┿ྖ 䠄ᮾிᏛ䞉Ꮫ㝔⌮Ꮫ⣔◊✲⛉䠅 16䠖30-17䠖00㻌 㻌 䛂㠀ᖹ⾮㔞Ꮚఏᑟ⌮ㄽ䝅䝭䝳䝺䞊䝅䝵䞁䛾❧ሙ䛛䜙ぢ䛯⇕㟁ᮦᩱ䛾᭱㐺タィ䛃 㻌㻌㻌㻌㻌㻌㻌㻌㻌 ὸ ⨾༤ 䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䞉䝘䝜䝅䝇䝔䝮 RI䠅 17䠖00-17䠖15㻌 㻌 䛂䝁䝯䞁䝖䛃 㻌㻌㻌㻌㻌㻌㻌㻌㻌 ᑎ Ύஅ 䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䞉ྡ䝸䝃䞊䝏䝱䞊䠅 17䠖30-18䠖45㻌 㻌 ពぢ㻌 䠄㈝䠖3000 䠅 34 添付資料 ５ 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 35 添付資料 ５ ሗ࿌᭩䠎䠌㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻴㻼㻯㻵㻌 ᡓ␎䝥䝻䜾䝷䝮㻌 㻌 ศ㔝䠎㽢ศ㔝䠑㻌 ␗ศ㔝ὶ◊✲㻌 㻌 䠉㔞Ꮚ䝰䞁䝔䜹䝹䝻ィ⟬䠉㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻡 ᭶ 㻟㻝 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻜㻡㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 䠎䠌䠍䠎ᖺ䠑᭶䠏䠌᪥䠄Ỉ䠅㻌 㻝㻜㻦㻟㻜䡚㻝㻣㻦㻟㻜㻌 ሙ䠖㻌 ᮾிᏛ᯽䜻䝱䞁䝟䝇㻌 ≀ᛶ◊✲ᡤ㻌 㻢㻲㻌 㻌 ➨䠍㆟ᐊ㻌 㻌 䛆㛤ദ᪨䛇㻌 㔞Ꮚ⣔䛾ᵓ㐀䜔䝎䜲䝘䝭䜽䝇䛻ᑐ䛩䜛つᶍィ⟬䛿䚸ᇶ♏⛉Ꮫ䞉ᛂ⏝⛉Ꮫ䜢ၥ䜟䛪䚸ከ䛟䛾ศ㔝䛷୰ᚰⓗ䛺ㄢ㢟䛸䛺䛳䛶䛔䜎 䛩䚹㻴㻼㻯㻵䠄㠉᪂ⓗ䝝䜲䝟䝣䜷䞊䝬䞁䝇䞉䝁䞁䝢䝳䞊䝔䜱䞁䜾䜲䞁䝣䝷㻕ᡓ␎䝥䝻䜾䝷䝮ศ㔝䠎䛂᪂≀㉁䞉䜶䝛䝹䜼䞊ᡂ䛃䛸ศ㔝䠑䛂≀ ㉁䛸Ᏹᐂ䛾㉳※䛸ᵓ㐀䛃䛷䛿䚸≀㉁⛉Ꮫศ㔝䠄ศ㔝䠎䠅䛸⣲䞉᰾䞉Ᏹᐂศ㔝䠄ศ㔝䠑䠅䛷≀㉁㝵ᒙ䛿␗䛺䜚䜎䛩䛜䚸㔞Ꮚ⣔䛾ィ⟬䛻 㢮ఝ䛧䛯᪉ἲ䛜⏝䛔䜙䜜䚸ඹ㏻䛩䜛ከ䛟䛾ㄢ㢟䛜䛒䜚䜎䛩䚹㻌 ᮏ◊✲䛿䚸≀㉁⛉Ꮫศ㔝䛸⣲䞉᰾䞉Ᏹᐂศ㔝䛾◊✲⪅䚸䛭䛧䛶ᩘ⌮⛉Ꮫ䛾◊✲⪅䜢䛘䚸␗ศ㔝䛾◊✲⪅䛜䜲䞁䝣䜷䞊䝬䝹 䛺㞺ᅖẼ䛷㆟ㄽ䜢䛩䜛ᶵ䜢タ䛡䜛䛣䛸䜢┠ⓗ䛸䛧䛶䛔䜎䛩䚹㻌 ᅇ䛿䚸䝰䞁䝔䜹䝹䝻䜢䝔䞊䝬䛻ྲྀ䜚ୖ䛢䜎䛧䛯䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 㻝㻜㻦㻟㻜㻙㻝㻜㻦㻠㻜㻌 䛿䛨䜑䛻㻌 㻝㻜㻦㻠㻜㻙㻝㻝㻦㻞㻡㻌 ୰ᮧ⣧䠄ᗈሗ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂➢ྕၥ㢟䛸䝰䞁䝔䜹䝹䝻ィ⟬㻌 㻙㻙㻌 ᱁Ꮚ 㻽㻯㻰 䛾ሙྜ䛃㻌 㻝㻝㻦㻞㻡㻙㻝㻞㻦㻝㻜㻌 ⏣ṇಇ䠄ᮾᕤ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂≀ᛶ≀⌮䛻䛚䛡䜛㔞Ꮚከయ⣔䛾䛯䜑䛾䛔䛟䛴䛛䛾䜰䝹䝂䝸䝈䝮䛃㻌 㻝㻟㻦㻝㻡㻙㻝㻟㻦㻠㻡㻌 ⸨ᇽ┿䠄ᮾ≀ᛶ◊䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂䜽䝷䝇䝍䞊䜰䝹䝂䝸䝈䝮㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛸䛭䛾୪ิ䛃㻌 㻝㻟㻦㻠㻡㻙㻝㻠㻦㻝㻡㻌 Ụᑼಙྖ䠄᪂₲⮬↛䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂᭷㝈ᐦᗘ᱁Ꮚ 㻽㻯㻰 䛻䛚䛡䜛➢ྕၥ㢟䛾ゎỴ䛻ྥ䛡䛯≧ែᐦᗘἲ䛻䜘䜛ヨ䜏䛃㻌 㻝㻠㻦㻝㻡㻙㻝㻠㻦㻠㻡㻌 ❧ᕝோ䠄ᶓᕷᅜ㝿⥲ྜ⛉Ꮫ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㔞Ꮚከᡂศ⣔ศᏊ⌮ㄽ䛾᭱㏆䛾ᒎ㛤䠖Ỉ⣲⣔䛚䜘䜃㝧㟁Ꮚ⣔ྜ≀䛾⌮ㄽⓗゎᯒ䛃㻌 㻝㻠㻦㻠㻡㻙㻝㻡㻦㻝㻡㻌 Ṋ⏣┿䠄㔠ἑ⌮ᕤ㻕㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂᭷㝈ᐦᗘ 㻽㻯㻰 䛻䛚䛡䜛䝣䜵䝹䝭䜸䞁⾜ิᘧ䛾┦䛻䛴䛔䛶䛃㻌 㻝㻡㻦㻠㻡㻙㻝㻢㻦㻟㻜㻌 ୕ᾆㅬ୍䠄ᅜ❧ሗᏛ◊✲ᡤ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂୪ิఝᩘⓎ⏕䜰䝹䝂䝸䝈䝮䛸䝨䝍䝇䜿䞊䝹௦䛾䝰䞁䝔䜹䝹䝻ἲ䛾ᒎᮃ䛃㻌 㻝㻢㻦㻟㻜㻙㻝㻣㻦㻜㻜㻌 㜿㒊ႛ䠄ᮾ 㻯㻺㻿㻕㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䛂㠀┦ᑐㄽⓗ㔞Ꮚከయ⣔䛻䛚䛡䜛㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䜢⏝䛔䛯᱁Ꮚィ⟬䛃㻌 㻌 㻝㻤㻦㻜㻜㻙㻝㻥㻦㻟㻜㻌 ᠓ぶ㻌 䠄ሙᡤ䠖䜹䝣䜵䝔䝸䜰䠅㻌 㻌 㻌 䛆ୡヰே䛇㻌 ▮ⰼ୍ᾈ䠄⟃Ἴ䠅䚸⸝ቑఙ䠄⟃Ἴ㻛㻭㻵㻯㻿䠅䚸Ḉ㕲ஓ䠄⟃Ἴ䠅䚸ᮡ㔝ಟ䠄ᮾ≀ᛶ◊䠅䚸ಙᐃඞᖾ䠄ศᏊ◊䠅㻌 㻌 ௨ୖ㻌 36 添付資料 ５ ሗ࿌᭩䠎䠍 㓄ᕸඛ ➨ 1 ᅇ RSC䠉CMSI ྜྠ䝉䝭䝘䞊 㛵ಀྛ సᡂ᪥㻌 2012 ᖺ 9 ᭶ 17 ᪥ No.㻌 CMSI-12-35 䝬䝹䝏䝇䜿䞊䝹ᵓ㐀⛉Ꮫ䜢ᣅ䛟 㧗䜶䝛䝹䜼䞊ග⛉Ꮫ䛸ィ⟬⛉Ꮫ䛾ᡓ␎ⓗ༠ዌ సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖㻌 2012 ᖺ 9 ᭶ 15 ᪥䠄ᅵ䠅13:00 - 16:50 ሙ䠖㻌 ⌮Ꮫ◊✲ᡤ ☻◊✲ᡤ SACLA ᐇ㦂◊✲Ჷ 2 㝵 ㆟ᐊ ദ䠖㻌 (⊂)⌮Ꮫ◊✲ᡤ ☻◊✲ᡤ ᨺᑕග⛉Ꮫ⥲ྜ◊✲䝉䞁䝍䞊䠄RSC䠅 㻌 㻌 㻌 㻌 㻌 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䠄CMSI䠅 䛆㛤ദᴫせ䛇 㟁Ꮚ䛾䝥䝻䞊䝤䛷䛒䜛ᨺᑕග䛿䚸≀㉁୰䛾ᶵ⬟䜢ᢸ䛖㟁Ꮚ䛾ศᕸ䜢ྍど䛷䛝䜛䛣䛸䛛䜙䚸ᶵ⬟䛾䝥䝻䞊䝤䛷䛒䜛䛸䜒ゝ䛘䜛䚹X ⥺⮬⏤㟁Ꮚ䝺䞊䝄䞊䛂SACLA䛃䛾Ⓩሙ䛿䚸ᵓ㐀䛸ᶵ⬟䛾┦㛵䜢᫂䜙䛛䛻䛩䜛ᵓ㐀≀ᛶ䛾◊✲䜢䛝䛟㌿䛧䜘䛖䛸䛧䛶䛔䜛䚹䛣 䜜䜎䛷䚸SPring-8 䛿䚸ᵓ㐀≀ᛶ䛾◊✲䜢ᚑ᮶䛾࿘ᮇ⣔≀㉁䛷䛒䜛⤖ᬗᮦᩱ䛾ᵓ㐀ゎᯒ䛾㧗ᗘ䛸䛧䛶䚸㟁Ꮚศᕸ䝬䝑䝢䞁䜾 䜔䝫䝔䞁䝅䝱䝹䜲䝯䞊䝆䞁䜾䛺䛹䛻䜘䜚ᶵ⬟ྍど䜈䛾ᵓ㐀⛉Ꮫ䛸䛧䛶ᒎ㛤䛧䛶䛝䛯䚹䛧䛛䛧䚸SACLA 䛿䝁䝠䞊䝺䞁䝇䛸䛔䛖≉ᛶ 䛜ຍ䜟䜛䛣䛸䛷䚸ᵓ㐀⛉Ꮫ䛻㠉᪂䜢䜒䛯䜙䛩䚹䛭䜜䛿䚸䛣䜜䜎䛷ᮍ㋃䛷䛒䛳䛯㝵ᒙᵓ㐀䜢ᣢ䛴≀㉁䛾䝬䝹䝏䝇䜿䞊䝹䛷䛾ᶵ⬟ ྍど䛷䛒䜛䚹≀㉁⛉Ꮫ䛻䛚䛡䜛㌟㏆䛺䛷䛿䚸㧗ศᏊᮦᩱ䜔┦ኚᮦᩱ䛺䛹䛾㠀࿘ᮇ⣔䛜⪃䛘䜙䜜䜛䚹䛧䛛䛧䚸䛣䛾䝬䝹䝏 䝇䜿䞊䝹ᵓ㐀⛉Ꮫ䜢ᶵ⬟ྍど䛻䜎䛷฿㐩䛷䛝䜛䜒䛾䛻䛩䜛䛯䜑䛻䛿䚸ᚑ᮶䛾ᵓ㐀ྍど䚸XFEL 䛾ඛ➃ィ 䚸䝕䞊䝍䝬䝛 䞊䝆䝯䞁䝖䚸つᶍ䝅䝭䝳䝺䞊䝅䝵䞁䛾㛫䛷䛾ᢏ⾡㛤Ⓨ䛾᭷ᶵⓗ䛺༠ዌ䛜ᚲせྍḞ䛷䛒䜛䚹 䛭䛾㉳Ⅼ䛸䛩䜛䜉䛟䚸䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍䛂ி䛃䛸 SACLA 䛾䝁䝠䞊䝺䞁䝖 X ⥺䛾ά⏝䜢ど㔝䛻ධ䜜䛯䛂䝬䝹䝏䝇䜿䞊䝹ᵓ㐀 ⛉Ꮫ䜢ᣅ䛟㧗䜶䝛䝹䜼䞊ග⛉Ꮫ䛸ィ⟬⛉Ꮫ䛾ᡓ␎ⓗ༠ዌ䛃䜢䝔䞊䝬䛻䚸CMSI 䛸䛾ඹദ䛷䚸➨ 1 ᅇ RSC䠉CMSI ྜྠ䝉䝭䝘䞊 䜢⏬䛧䛯䚹ᮏ䝉䝭䝘䞊䛷䛿䚸࿘ᮇ⣔䞉㠀࿘ᮇ⣔䛭䜜䛮䜜䛾ศ㔝䛷ᨺᑕග⛉Ꮫ䛸ィ⟬⛉Ꮫ䛾⼥ྜ䜢ᅗ䛳䛶䛔䜛◊✲⪅䛻ㅮ₇ 䜢⾜䛳䛶䛔䛯䛰䛝䚸䝬䝹䝏䝇䜿䞊䝹ᵓ㐀⛉Ꮫ䛾ᒎ㛤䜢ලయ䛩䜛䛯䜑䛾䚸SPring-8/SACLA/ி䛾ᆺ◊✲タ䛾༠ዌⓗ䛺 ά⏝䛸༠ዌⓗඹྠ◊✲䛾᪉ྥᛶ䛻䛴䛔䛶㆟ㄽ䜢⾜䛖䚹 䛆䝥䝻䜾䝷䝮䛇 ᗙ㛗䠖ຍ⸨ ୍䠄RSC䠅 13:00䡚13:05 㛤䛾㎡䠖▼ᕝ ဴஓ 䠄RSC 䝉䞁䝍䞊㛗䠅 13:05䡚13:15㻌 㧗⏣ ᫀᶞ䠄RSC䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂䝬䝹䝏䝇䜿䞊䝹ᵓ㐀⛉Ꮫ䛾ᒎ㛤䛻ྥ䛡䛶䛃 13:15䡚13:40㻌 ᖖ⾜ ┿ྖ䠄CMSI, ᮾ䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂つᶍィ⟬䛻䜘䜛ィ⟬≀㉁⛉Ꮫ䛾⌧≧䛸ᮍ᮶䛃 13:40䡚14:05㻌 ᑠཎ ┿ྖ䠄JASRI/SPring-8䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂㏫䝰䞁䝔䜹䝹䝻ἲ䛸 DFT ィ⟬䜢㥑䛧䛯䝘䝜䝇䜿䞊䝹┦ኚ⌧㇟䛾ᶵᵓྍど䛃 14:05䡚14:30㻌 すᇼ ⱥ䠄ྡ䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂࿘ᮇ⣔䜈䛾㑇ఏⓗ䜰䝹䝂䝸䝈䝮/MEM 䛾㐺⏝䛻䜘䜛ᮍ▱ᵓ㐀䛸ᶵ⬟䛾ྍど䛃 14:30䡚14:50㻌 ఇ᠁ᗙ㛗䠖୕Ꮿ 㝯䠄CMSI, ⏘⥲◊䠅 14:50䡚15:15㻌 ᓊᮏ ᾈ㏻䠄ఫ䝂䝮ᕤᴗ(ᰴ)䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂USAXS 䝕䞊䝍䛻ᇶ䛵䛟つᶍ䝅䝭䝳䝺䞊䝅䝵䞁䛻䜘䜛ప⇞㈝䝍䜲䝲䛾タィ㛤Ⓨ䛃 15:15䡚15:40㻌 ῧ ♸ᶞ䠄JST/ERATO䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂䝫䝸䝬䞊䝤䝷䝅 2 ḟඖ䝭䜽䝻ᵓ㐀䛾䝰䞁䝔䜹䝹䝻䝅䝭䝳䝺䞊䝅䝵䞁䛃 15:40䡚16:05㻌 ᇛᆅ ಖᫀ䠄JASRI/XFEL䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂SACLA 䛸 HPC 䛾⼥ྜ䛻䜘䜛⏕య㉸ศᏊ䜲䝯䞊䝆䞁䜾䛃 37 添付資料 ５ 16:05䡚16:45㻌 ⚟ᒣ ⚽ᩄ䠄ᮾி⌮⛉䠅 㻌㻌㻌㻌㻌㻌㻌㻌㻌㻌 䛂ㄢ㢟ゎỴᆺ◊✲䛻䛚䛡䜛ᆺ◊✲タ䛾ᙺ䛃 16:45䡚16:50㻌 㛢䛾㎡䠖㧗⏣ ᫀᶞ RSC 䝉䞁䝍䞊㛗 17:00䡚17:50㻌 SACLA ぢᏛ䝒䜰䞊 18:00䡚19:30㻌 ᠓ぶ䠄SPring-8 ≉ู㣗ᇽ, ㈝䠖3,000 䠅 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 38 添付資料 ５ ሗ࿌᭩䠎䠎 㓄ᕸඛ సᡂ᪥㻌 2013 ᖺ 3 ᭶ 6 ᪥ No.㻌 CMSI-12-31 㛵ಀྛ ➨ 㻝 ᅇ㻌 䇾ぢ䛘䜛䇿㻌 䝅䞁䝫䝆䜴䝮㻌 "ぢ䛘䛺䛔" ⛉Ꮫ䛛䜙 "ぢ䛘䜛" ⛉Ꮫ䜈 సᡂ CMSI ົᒁ ୕ᾆ 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻞㻜㻝㻟 ᖺ 㻟 ᭶ 㻡 ᪥䠄ⅆ䠅㻌 ሙᡤ㻦㻌 ⛅ⴥཎ 㼁㻰㼄㻌 䝅䞁䝫䝆䜴䝮䛚䜘䜃ᒎ♧㻌 㻌㛫䠖㻌 㻌 㻝㻝㻦㻜㻜䡚㻝㻢㻦㻡㻜㻌 䝣䝻䜰ᒎ♧㻌 䠄ሙ䠖㻌 㼁㻰㼄㻌㻺㻱㼄㼀㻙㻟䠅㻌 㻌㻌㻌㻌㻌㻌 㻝㻞㻦㻠㻜䡚㻝㻟㻦㻜㻜㻌 ᫎീ䛸㡢ᴦ䛾➇₇㻌 䠄ሙ䠖㻌 㼁㻰㼄 䝅䜰䝍䞊䠅㻌 㻌㻌㻌㻌㻌㻌 㻝㻟㻦㻜㻜䡚㻝㻤㻦㻜㻜㻌 䝅䞁䝫䝆䜴䝮㻌 䠄ሙ䠖㻌 㼁㻰㼄 䝅䜰䝍䞊䠅㻌 ཧຍ⪅ᩘ䠖㻌 㻝㻟㻢 ྡ㻌 䠄๓⏦㎸⪅ᩘ㻌 㻝㻡㻝 ྡ䠅㻌 㻌 䛆㛤ദ㊃᪨䛚䜘䜃ᴫせ䛇㻌 ཎᏊ䜔ศᏊ䛾䜛⯙䛔䜢つᶍィ⟬䛷᫂䜙䛛䛻䛩䜛ィ⟬≀㉁⛉Ꮫ䚹ḟୡ௦䛾᪂䝕䝞䜲䝇䜔⸆䚸⇞ᩱ㟁ụ䛺䛹 䛾㛤Ⓨ䜈䛾ᛂ⏝䛜ᮇᚅ䛥䜜䛶䛔䜛䛻䜒䛛䛛䜟䜙䛪䚸୍⯡♫䛛䜙䛿䛂㞴䛧䛔䛃䛸ᩗ㐲䛥䜜䛜䛱䛰䚹┠䛻䛂ぢ䛘䛺䛔䛃䝘 䝜䛾⛉Ꮫ䜢䛂ぢ䛘䜛䛃⛉Ꮫ䛸䛧䛶䜟䛛䜚䜔䛩䛟ఏ䛘䜛䛻䛿䛹䛖䛧䛯䜙䛔䛔䛾䛛䠛ィ⟬≀㉁⛉Ꮫ䛸♫䜢ᐦ䛻䛴䛺䛠䛯䜑 䛻䛹䛖䛩䜜䜀䜘䛔䛛䠛䛂ぢ䛘䜛䛃䛾᪂䛧䛔ᡭἲ䜢ᣅ䛟䛣䛸䜢┠ⓗ䛸䛧䛶䚸ᮏ䝅䞁䝫䝆䜴䝮䜢㛤ദ䚹䛂ఏ䛘䜛䛃ᢏ⾡䛾ᑓ 㛛ᐙ䜢䛘䛶ཧຍ⪅䛸ඹ䛻⪃䛘䛯䚹㻌 ᙜ᪥䛿䚸ᒎ♧䝣䝻䜰䛸䝅䜰䝍䞊ᙧᘧ䛾䝅䞁䝫䝆䜴䝮䛜୪⾜䛧䛶⾜䜟䜜䛯䚹ᒎ♧䝣䝻䜰䛷䛿䚸㻴㻼㻯㻵 ᡓ␎ 㻡 ศ㔝䚸⌮◊ 㻭㻵㻯㻿䚸䛚䜘䜃ദ⪅䛾㇏ᶫᢏ⾡⛉ᏛᏛ䛜᪥❧〇సᡤ䛸ඹྠ䛷䚸ྛ䝤䞊䝇䛻 㻡㻞 䡮䢙䡽䝰䝙䝍䞊䜢⨨䛝ᫎീ䜢୰ᚰ 䛸䛧䛯䝤䞊䝇ᒎ♧䜢⾜䛳䛯䚹㻌 䝅䞁䝫䝆䜴䝮䛾䝥䝺䜲䝧䞁䝖䛸䛧䛶䚸䛂⣧⢋ị⤖䠇䝯䝍䞁䝝䜲䝗䝺䞊䝖ᆒ୍᰾⏕ᡂ㐣⛬䝅䝭䝳䝺䞊䝅䝵䞁䛃䛾 㻟㻰 ᫎീ䛸⍆ 䛾⏕₇ዌ䛾䝁䝷䝪䝺䞊䝅䝵䞁䜢⾜䛳䛯䚹䝅䞁䝫䝆䜴䝮䛷䛿䚸ദ⪅䛛䜙㛤ദ┠ⓗ䛜ㄒ䜙䜜䚸⥆䛟ᣍᚅㅮ₇䛷䛿䚸᳜ᯇ Ặ䠄㻺㻴㻷㻕䚸ఀ⸨ᩍᤵ䠄༓ⴥ䠅䚸ᶓᒣᩍᤵ䠄ᮾ䠅䛾 㻟 Ặ䛛䜙䚸䛂㻎ぢ䛘䜛㻎䛃䛾⌧≧䛸䝠䞁䝖䛜ㄒ䜙䜜䛯䚹㻌 䝟䝛䝹䝕䜱䝇䜹䝑䝅䝵䞁䛷䛿䚸ሙ䛛䜙䜒ከ䛟䛾Ⓨゝ䛜䛒䜚䚸ሙ䛸䝟䝛䝷䞊䛜䚻ⓎṆ䛷䝕䜱䝇䜹䝑䝅䝵䞁䜢⧞䜚ᗈ 䛢䚸⥅⥆ⓗ䛺㛤ദ䛾ᮇᚅ䛜┒䜚ୖ䛜䜛䛺䛛㛢䛧䛯䚹ཧຍ⥲ᩘ䛿 㻝㻟㻢 ྡ䠄๓⏦㎸⪅ 㻝㻡㻝 ྡ䠅䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇䠄ᩗ⛠␎䠅㻌 㻌 䠘䝣䝻䜰ᒎ♧㻌 ሙ䠖㻺㻱㼄㼀㻙㻟㻌 䠚㻌 㻝㻝㻦㻜㻜䡚㻝㻞㻦㻡㻜㻌 㻌 㻌䛂ィ⟬⛉Ꮫᗈሗ䛸ᩍ⫱άື䛃㻌 㻌 ㇏ᶫᢏ⾡⛉ᏛᏛ㻔㼀㼁㼀㻕䚸㻯㻹㻿㻵䚸⌮Ꮫ◊✲ᡤィ⟬⛉Ꮫ◊✲ᶵᵓ㻌 㻌 㻴㻼㻯㻵 ᡓ␎䝥䝻䜾䝷䝮䠑ศ㔝䛻䜘䜛䝤䞊䝇ᒎ♧㻌 㻌 39 添付資料 ５ 䠘䝅䜰䝍䞊䜲䝧䞁䝖㻌 ሙ䠖䝅䜰䝍䞊㻌 䠚㻌 㻝㻞㻦㻠㻜䡚㻝㻟㻦㻜㻜㻌 㻌 㻌 䇾ィ⟬⛉Ꮫᫎീ䛸㡢ᴦ䛾➇₇䇿䡚ᚰ䛻㡪䛟䝃䜲䜶䞁䝇䡚㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䠄⣧⢋ị⤖䠇䝯䝍䞁䝝䜲䝗䝺䞊䝖ᆒ୍᰾⏕ᡂ㐣⛬䝅䝭䝳䝺䞊䝅䝵䞁䛾 㻟㻰 ᫎീ䛸㻌 㻌 ⍆₇ዌ䛾䝁䝷䝪䝺䞊䝅䝵䞁䠅㻌 㻌 㻝㻟㻦㻜㻜䡚㻝㻟㻦㻞㻜㻌 㻌 䛂㻌 㻎ぢ䛘䛺䛔㻎㻌 ⛉Ꮫ䛛䜙㻌 㻎ぢ䛘䜛㻎㻌 ⛉Ꮫ䜈㻌 䛃㻌 㻌 ᣵᣜ䠖㻌 ᴬ㻌 ెஅ㻌 䠄㼀㼁㼀 Ꮫ㛗䠅㻌 㻌 㻌 ୗ㛫ᗣ⾜㻌 䠄ᩥ㒊⛉Ꮫ┬ሗㄢ㛗䠅㻌 㻌 άື⤂䠖㻌 ᖖ⾜┿ྖ䠄ᮾிᏛ䠋㻯㻹㻿㻵 ⤫ᣓ㈐௵⪅䠅㻌 㻌 ✄ᇉᗣၿ䠄㼀㼁㼀 Ꮫ㛗䠅㻌 㻌 㻝㻟㻦㻞㻜䡚㻝㻟㻦㻠㻜㻌 䛂ィ⟬≀㉁⛉Ꮫᗈሗ䛾⌧≧䛸ㄢ㢟䛃㻌 㻌 ⸨ᇽ┾㻌 䠄ᮾிᏛ䠋㻯㻹㻿㻵㻌 ᗈሗ௦⾲䠅㻌 㻌 䠘ᣍᚅㅮ₇䠚㻌 㻝㻟㻦㻠㻜䡚㻝㻠㻦㻟㻜㻌 䛂⌮ゎ䛸ឤぬ䛃㻌 ᳜ᯇ⚽ᶞ䠄㻺㻴㻷䠅㻌 㻌 㻝㻠㻦㻡㻜䡚㻝㻡㻦㻠㻜㻌 䛂ྍど䛸䝅䝘䝸䜸䛷⛉Ꮫ䜢㠃ⓑ䛟ఏ䛘䜛䛃㻌 ఀ⸨ᬛ⩏䠄༓ⴥᏛ䠅㻌 㻝㻡㻦㻠㻜䡚㻝㻢㻦㻟㻜㻌 䛂䇿ぢ䛘䜛䇿䛿Ỵ䜑ᡭ䛻䛺䜛䛛䠛㻌 㻌 䡚ศ㔝እ䛛䜙䜏䛯≀㉁ィ⟬⛉Ꮫ䛾ᙉ䜏䛿䡚䛃㻌 ᶓᒣᗈ⨾䠄ᮾிᏛ䠅㻌 㻌 䠘䝟䝛䝹䝕䜱䝇䜹䝑䝅䝵䞁䠚㻌 㻝㻢㻦㻡㻜䡚㻝㻣㻦㻠㻜㻌 䛂䇾ぢ䛘䛺䛔䇿⛉Ꮫ䛸♫䜢䛴䛺䛠䛯䜑䛻䛃㻌 㻌 䝰䝕䝺䞊䝍䞊䠖㻌 ᚋ⸨ோᚿ䠄㼀㼁㼀㻌㻭㻰㻿㻵㻹 ᖿ䠅㻌 㻌 䝟䝛䝷䞊㻌 㻌 㻌 䠖㻌 ᳜ᯇ⚽ᶞ䚸ఀ⸨ᬛ⩏䚸ᶓᒣᗈ⨾䚸㛵㔝⚽⏨䠄㼀㼁㼀䠋㻯㻹㻿㻵 ேᮦ⫱ᡂᢸᙜ䠅䚸㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ㎞ᮌဴኵ䠄⌮◊ 㻭㻵㻯㻿㻌 ᗈሗᅜ㝿ᐊ㛗䠅㻌 㻌 䠘䜎䛸䜑䠚㻌 㻝㻣㻦㻠㻜䡚㻝㻤㻦㻜㻜㻌 䛂ぢ䛘䛼ୡ⏺䜢㨩䛫䜛䛻䛿䛃㻌 㛵㔝⚽⏨䠄㼀㼁㼀䠋㻯㻹㻿㻵 ேᮦ⫱ᡂᢸᙜ䠅㻌 㻌 䛆ㅮ₇⪅ᴫせ䛇㻌 䠘᳜ᯇ⚽ᶞ䠚㻌 㻺㻴㻷 䝕䜱䝺䜽䝍䞊䚹㻺㻴㻷 䝇䝨䝅䝱䝹㻌 䛄䝁䞁䝢䝳䞊䝍㠉㻌 ᭱㏿㽢᭱ᙉ䛾㢌⬻ㄌ⏕䛅㻌 䜢ᢸᙜ䚹㻺㻴㻷 䝇䝨䝅䝱䝹䛄⣲ᩘ䛾㨱ຊ䛻ᅃ䜟䜜䛯ே䚻㻌 䝸䞊䝬䞁ண䞉ኳᡯ䛯䛱䛾 㻝㻡㻜 ᖺ䛾㜚䛔䛅䛷䚸㻞㻜㻝㻜 ᖺ⛉Ꮫ䝆䝱䞊䝘䝸䝇䝖 ㈹ཷ㈹䚹ᫎീ䛻䛺䜚䛻䛟䛔⛉Ꮫ䛾ୡ⏺䜢䚸㻯㻳 䜢㥑䛧䛶ᕦ䜏䛻ྍど䛧䚸⛉Ꮫ䛾㨩ຊ䜢ఏ䛘䛶䛔䜛䚹㻌 㻌 䠘ఀ⸨ᬛ⩏䠚㻌 ༓ⴥᏛᏛ㝔㻌 ᕤᏛ◊✲⛉ேᕤ䝅䝇䝔䝮⛉Ꮫᑓᨷ㻌 ᩍᤵ䚹㻞㻜㻝㻞 ᖺ㻌 䛂䝩䝻䜾䝷䝣䜱ᑓ⏝ィ⟬ᶵ䛻 䜘䜛ḟୡ௦䠏ḟඖᫎീᢏ⾡䛾◊✲䛃䛷ᩥ㒊⛉Ꮫ⮧⾲ᙲ⛉Ꮫᢏ⾡㈹ཷ㈹䚹ⴭ᭩䛄䝇䞊䝟䞊䝁䞁䝢䝳䞊䝍䞊䜢 㻞㻜 䛷䜛䛅䜔䚸ₔ⏬㻌 䛄㻮㻾㻭㻵㻺㻿䡚䝁䞁䝢䝳䞊䝍䛻㉃䛡䛯⏨䛯䛱䡚䛅㻌 䛾సᐙ䛸䛧䛶䜒ά㌍୰䚹㻌 㻌 䠘ᶓᒣᗈ⨾䠚㻌 ᮾிᏛᏛ㝔⌮Ꮫ⣔◊✲⛉ᩍᤵ㻛ᗈሗᐊᐊ㛗䚹♫䛸⛉Ꮫ䜢⤖䜆䛂⛉Ꮫ䝁䝭䝳䝙䜿䞊䝅䝵䞁䛃 䛜ᑓ㛛䚹㻺㼕㼗㼛㼚 䛾 㼃㼑㼎 䝨䞊䝆㐃㍕୰䛾㻌 䛄ග䛸ே䛾≀ㄒ䡚ぢ䜛䛸䛔䛖䛣䛸䛅㻌 䛷 㻞㻜㻜㻣 ᖺ⛉Ꮫ䝆䝱䞊䝘䝸䝇䝖㈹ཷ㈹䚹 Ꮫ㝔ᩍ⫱㐣⛬䛻⛉Ꮫ䝁䝭䝳䝙䜿䞊䝅䝵䞁䜢ᇶ♏Ꮫၥ䛸䛧䛶⨨䛡䚸ඛ㥑ⓗ䛺ㅮ⩏䜢ᐇ୰䚹㻌 ௨ୖ 40 添付資料 ５ ሗ࿌᭩䠎䠏 㓄ᕸඛ సᡂ᪥㻌 2012 ᖺ 4 ᭶ 19 ᪥ No.㻌 CMSI-12-01 㛵ಀྛ ➨䠍ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖2012 ᖺ 4 ᭶ 18 ᪥(Ỉ) 16:00-17:30 ሙᡤ䠖⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖ᆏ ᚭ Toru Sakai (SPring-8) 䝍䜲䝖䝹䠖㔞Ꮚ䝇䝢䞁⣔䛾䝖䝢䝑䜽䝇 (Topics of Quantum Spin Systems) 䛆㛤ദᴫせ䛇 పḟඖ㔞Ꮚ䝇䝢䞁⣔䛾୰䛛䜙䚸ᡃ䚻䛾䜾䝹䞊䝥䛷◊✲䜢㐍䜑䛶䛔䜛䝇䝢䞁䝏䝳䞊䝤䚸䝇䝢䞁䝷䝎䇷䚸ḟ㏆᥋┦స⏝䛾䛒䜛䝪䞁 䝗௦㙐䛺䛹䛻↔Ⅼ䜢䛧䜌䜚䚸᭱㏆䛾ᡂᯝ䛸䛧䛶⌮ㄽⓗ䛻ண 䛥䜜䛯⯆῝䛔᪂ወ䛺㔞Ꮚ⌧㇟䛻䛴䛔䛶⤂䛩䜛䚹 ලయⓗ䛻䛿䚸 䠄䠍䠅䠏ᮏ㙐䝇䝢䞁䝏䝳䞊䝤䛾䝇䝢䞁䜼䝱䝑䝥ᙧᡂ䞉ᾘኻ㔞Ꮚ┦㌿⛣ 䠄䠎䠅3 ᮏ㙐䝇䝢䞁䝷䝎䇷⣔䛾᪂ወ䝇䝢䞁ᾮయ┦ 䠄䠏䠅ḟ㏆᥋┦స⏝䛾䛒䜛䝪䞁䝗௦㙐䛾☢ሙㄏ㉳䝇䞊䝟䞊䝋䝸䝑䝗 䛺䛹䜢୰ᚰ䛻䚸㛫䛾チ䛩㝈䜚⤂䛩䜛䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 41 添付資料 ５ ሗ࿌᭩䠎䠐㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ➨䠍ᅇ㻌 㻯㻹㻿㻵㻌 䛂ி䛃⏝ሗ㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻡 ᭶ 㻝㻝 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻜㻟㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻞㻜㻝㻞 ᖺ 㻜㻡 ᭶ 㻝㻜 ᪥㻔ᮌ㻕㻌㻝㻝㻦㻜㻜㻌䇵㻌㻝㻣㻦㻜㻜㻌 㻌 ሙᡤ䠖㻌 ィ⟬⛉Ꮫ◊✲ᶵᵓ㻌 㻢 㝵ㅮᇽ㻌 㻌 䛆㛤ദ᪨䛇㻌 䛂ி䛃䛾୍⯡⏝⏦ㄳ䛻㛵䛩䜛ሗ䚸ᐩኈ㏻䛾᪉䛛䜙 㻯㻹㻿㻵 䛾ᨭ≧ἣ䚸䛂ி䛃⏝⪅㛫䛷䛾䝜䜴䝝䜴䛾ඹ᭷䚸つᶍ䜰䜹䜴䞁䝖 ᕼᮃ⪅䛾䝠䜰䝸䞁䜾䜢⾜䛔䜎䛩䚹ⓙᵝ䚸ዧ䛳䛶䛤ཧຍୗ䛥䛔䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 䞉䛂ி䛃୍⯡⏝ᯟ䛾⏦ㄳ➼䠄⸨ᇽ䠅㻌 㻌 㻌 䠄ඹ⏝㛤ጞᚋ䛻㔜Ⅼㄢ㢟௨እ䛾䝔䞊䝬䛾䛂ி䛃⏝䛻㛵䛧䛶ㄝ᫂䠅㻌 䞉㻯㻹㻿㻵 ◊✲ㄢ㢟ᨭ≧ἣ䠄ᐩኈ㏻䠅㻌 㻌 㻌 㻽䠃㻭䚸㧗ᗘᨭ䛾ෆᐜ䛸ඹ㏻ㄢ㢟➼㻌 䞉䛂ி䛃⏝⪅䛛䜙䛾ヰ㢟ᥦ౪㻌 㻌 㻌 ๓ᅬඛ⏕䠄㻯㻭㻿㻵㻺㻻䠅䚸⬥ᵝ䠄㻻㼜㼑㼚㻹㼄䠅䚸㻌 㻌 㻌 ⱞປ䛧䛶䛔䜛Ⅼ䚸䛖䜎䛟䛔䛳䛯Ⅼ➼㻌 䞉つᶍ䜰䜹䜴䞁䝖ᕼᮃ⪅䝠䜰䝸䞁䜾㻌 㻌 㻌 㻯㻻㻺㻽㼁㻱㻿㼀 ༞ᴗ䛾䛯䜑䚸᪂つ䛻つᶍ䜰䜹䜴䞁䝖 㻡 ᯟ䛾㓄ศ䛜ྍ⬟䛸䛺䜚䜎䛧䛯䚹㻌 㻌 㻌 ⌧ᅾ䝖䝷䜲䜰䝹ᯟ䜢⏝䛥䜜䛶䛔䜛᪉䛷䚸つᶍ䜰䜹䜴䞁䝖ྲྀᚓ䜢䛤ᕼᮃ䛾᪉䛿䚸㻌 㻌 㻌 ᮏ᳨ウ䛻䛤ฟᖍ䛔䛯䛰䛝䚸௨ୗ䛾㡯┠䛻㛵䛩䜛୪ิ≧ἣ䜢䛤ሗ࿌䛟䛰䛥䛔䚹䠄㻝㻜 ศ⛬ᗘ䠅㻌 䞉䝝䜲䝤䝸䝑䝗୪ิ䛾≧ἣ㻌 䞉㻣㻞 䝜䞊䝗䜎䛷䛾䝇䝖䝻䞁䜾㻛䜴䜱䞊䜽䝇䜿䞊䝸䞁䜾≧ἣ㻌 䞉㻣㻞 䝜䞊䝗䛷䛾 㻯㻼㼁 ᛶ⬟ᣦᶆ್㻔㻲㻸㻻㻼㻿䞉㻹㻵㻼㻿㻕㻌 䞉つᶍ୪ิ䛻䛚䛡䜛䝪䝖䝹䝛䝑䜽䛾≉ᐃ䛸ᑐ⟇䛾᳨ウ≧ἣ㻌 䞉つᶍ୪ิ㻔ࠥ㻝㻜㻜㻜㻜 䝜䞊䝗つᶍ㻕䛷䛾ᛶ⬟᥎ᐃ䛸䛭䛾ጇᙜᛶ㻌 㻌 䈜つᶍ䜰䜹䜴䞁䝖ᕼᮃ⪅䛷ᙜ᪥ཧຍ䛷䛝䛺䛔᪉䛿䚸ู㏵䝠䜰䝸䞁䜾䛾᪥⛬ㄪᩚ䜢䛔䛯䛧䜎䛩䠄⸨ᇽ䠅㻌 㻌 䞉㉁ၥཷ䞉ᅇ⟅㻌 㻌 㻌 䛂ி䛃⏝䛻㛵䛩䜛ᢏ⾡ⓗ䚸ົⓗ䛺䛤㉁ၥ䜢䛚ཷ䛡䛔䛯䛧䜎䛩䚹㻌 㻌㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 ⚄ᡞ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼗㼛㼎㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㼀㻱㻸㻦㻌㻜㻣㻤㻙㻥㻠㻜㻙㻣㻤㻡㻝㻌 㻌 ௨ୖ㻌 42 添付資料 ５ ሗ࿌᭩䠎䠑 㓄ᕸඛ సᡂ᪥㻌 2012 ᖺ 5 ᭶ 24 ᪥ No.㻌 CMSI-12-04 㛵ಀྛ ➨ 2 ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 2012 ᖺ 5 ᭶ 23 ᪥䠄Ỉ䠅 16:00-17:30 ሙᡤ䠖 ⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖 すᯇ Ẏ 䝍䜲䝖䝹䠖 ≀㉁୰䛾ᴟᏊ┦స⏝䛸䛭䛾つᶍ㧗㏿ィ⟬ Takeshi Nishimatsu (ᮾᏛ㔠◊ IMR, Tohoku University) (Dipole-dipole interactions in materials and their large and high-speed calculations) 䛆㛤ദᴫせ䛇 ᴟᏊ┦స⏝䛿≀㉁୰䛻ᬑ㐢ⓗ䛻䜏䛴䛡䜛䛣䛸䛜䛷䛝䜛䚹㟁ẼᴟᏊ䛸☢ẼᴟᏊ䛿䜘䛟▱䜙䜜䛶䛔䜛䛧䚸䝪䝹䞁᭷ຠ㟁Ⲵ 䛿⤯⦕య䛾䝣䜷䝜䞁䛾ศᩓ㛵ಀ䛾ゎᯒ䛻౽䛷䛒䜛䚹㏆ᖺ䛾ィ⟬ᶵ䛾㧗㏿䛸≀ᛶ⌮ㄽ䛾Ⓨᒎ䛻䜘䜚䚸㟁ẼᴟᏊ䛾㞟䜎䜚䛷 䛒䜛ᙉㄏ㟁య䛾䝗䝯䜲䞁ᵓ㐀䛾ศᏊືຊᏛ䝅䝭䝳䝺䞊䝅䝵䞁䛜ྍ⬟䛻䛺䜚䛴䛴䛒䜛[1,2]䚹ィ⟬ᶵ䛾つᶍ䛻䜘䛳䛶䛥䜙䛻ྍ⬟ 䛻䛺䜛䛷䛒䜝䛖ᴟᏊ┦స⏝䛾㛵㐃䛩䜛≀ᛶ䛸䛭䛾ィ⟬ᡭἲ䛻䛴䛔䛶䜒⪃ᐹ䛩䜛䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 43 添付資料 ５ ሗ࿌᭩䠎䠒 㓄ᕸඛ సᡂ᪥㻌 2012 ᖺ 6 ᭶ 14 ᪥ No.㻌 CMSI-12-06 㛵ಀྛ ➨ 3 ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 2012 ᖺ 6 ᭶ 13 ᪥(Ỉ) 16:00-17:30 ሙᡤ䠖 ⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖 Paul Baumeister (Jülich) 䝍䜲䝖䝹䠖 Real-Space DFT calculations on BlueGene/Q 䛆㛤ദᴫせ䛇 Atomistic simulation of complex structures have moved into the focus of current research. Calculations in the framework of density functional theory can provide answers to many interesting challenges such as defect structures, magnetic surface phenomena, adsorbed molecule and other systems which are promising candidates for functional nano-devices. In many of these scenarios the extends of the supercell are large and the system contain a vast number of atoms. Therefore, a parallel DFT application is indispensable. The real-space finite-difference approach [1] with a domain decomposition of the real-space grid has shown excellent scaling behavior on massively parallel machines of the top 10 world list. The projector-augmented wave method for the proper treatment of the atomic scattering properties and energy contributions allows for all-electron accuracy, also with 3d- and 4d-transition metals [2]. Results of a structural relaxation study of the crystalline phase of GeSbTe, a phase-change material, with more than 3000 atoms in the supercell will be shown. In the last years supercomputers as the IBM Blue Gene/P and now also BG/Q [3] have posed the necessity of a hybrid programming scheme. Besides scaling behavior of various levels of MPI parallelization a roadmap to an efficient hybrid scheme for the real-space DFT application will be discussed. [1] Hirose et. al., First-Principles Calculations in Real-Space Formalism, Imperial College Press 2005, London [2] Ono et. al., PRB 82, 205115 (2010) [3] http://www.fz-juelich.de/ias/jsc/EN/Expertise/Supercomputers/JUQUEEN/JUQUEEN_node.html 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 44 添付資料 ５ ሗ࿌᭩䠎䠓㻌 㓄ᕸඛ㻌 㛵ಀྛ㻌 㻌 㻌 ➨ 㻢 ᅇ㻌 㻯㻹㻿㻵㻌 ⱝᡭᢏ⾡ὶ㻌 సᡂ᪥㻌 㻞㻜㻝㻞 ᖺ 㻣 ᭶ 㻞㻜 ᪥㻌 㻺㼛㻚㻌 㻯㻹㻿㻵㻙㻝㻞㻙㻜㻥㻌 䛂ி⏝䛻ྥ䛡䛯ᢏ⾡䞉ሗ䛾ඹ᭷䛃㻌 㻌 㻌 సᡂ㻌 㻯㻹㻿㻵 ົᒁ㻌 ୕ᾆ㻌 㻌 䛆㛤ദせ㡯䛇㻌 ᪥䠖㻌 㻞㻜㻝㻞 ᖺ 㻣 ᭶ 㻝㻣 ᪥䠄ⅆ䠅䡚㻝㻥 ᪥䠄ᮌ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䞉㻝㻣 ᪥䠄ⅆ䠅㻌 㻝㻟㻦㻜㻜㻌 㛤ጞ㻌 䠄⌧ᆅ㞟ྜ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䞉㻝㻥 ᪥䠄ᮌ䠅㻌 㻝㻡㻦㻜㻜㻌 㛢㻌 䠄⌧ᆅゎᩓ䠅㻌 㻌 ሙ䠖㻌 䝲䝬䝝䝸䝌䞊䝖㻌 䛴䜎ᜊ㻌 䠄ᕝ䠅㻌 ᐃဨ䠖㻌 㻠㻜 ྡ㻌 㻌 䛆㛤ദ᪨䛇㻌 㻯㻹㻿㻵 ⱝᡭᢏ⾡ὶ䛿䚸ᅇ䛷➨䠒ᅇ┠䚸ྜᐟᙧᘧ➨䠎ᙎ䛾㛤ദ䛸䛺䜚䜎䛩䚹ᅇ䛿䛂ி⏝䛻ྥ䛡䛯ᢏ⾡䞉ሗ䛾ඹ᭷䛃䜢 䝔䞊䝬䛻䚸ᐩኈ㏻䛛䜙ㅮᖌ䜢䛚䜃䛧䛶䚸㻎ிཬ䜃 㻲㼄㻝㻜 䛷䛾䝁䞁䝟䜲䝹䚸䝏䝳䞊䝙䞁䜾㻎䛻䛴䛔䛶䛾ㅮ⩏䜢ணᐃ䛧䛶䛔䜎䛩䚹䛣 䜜䜢ཷ䛡䛶䚸ྛ⮬䛷ᣢ䛱ᐤ䛳䛯䝥䝻䜾䝷䝮䜢 㻲㼄㻝㻜 䛷䝁䞁䝟䜲䝹䞉ᐇ⾜䛧䚸䝁䞁䝟䜲䝹䛻⏕䛨䜛ၥ㢟䞉䝏䝳䞊䝙䞁䜾⟠ᡤ䛻䛴䛔 䛶ᗈ䛟ඹ᭷䜢ᅗ䜚䜎䛩䚹㻌 ศ㔝⯆䛾ほⅬ䛛䜙䚸ከ䛟䛾䝥䝻䜾䝷䝮䜢ி䛷ᐇ⾜䛷䛝䜛䜘䛖䛻䛩䜛䛯䜑䚸䛩䛷䛻ி䜒䛧䛟䛿 㻲㼄㻝㻜 䜢⏝䛧䛶䛔䜛ཧຍ⪅䛻䛿䚸 䛾ཧຍ⪅䛾䝥䝻䜾䝷䝮䛒䜛䛔䛿ὶᖿ䛜⏝ព䛩䜛䝥䝻䜾䝷䝮䛾䝁䞁䝟䜲䝹䛻ᣮᡓ䛧䛶䛔䛯䛰䛝䜎䛩䚹㻌 㻌 䛆䝥䝻䜾䝷䝮䛇㻌 䠷㻝 ᪥┠䠹㻌 㻝㻟㻦㻜㻜㻙㻝㻡㻦㻟㻜㻌 䛂ிཬ䜃 㻲㼄㻝㻜 䛷䛾䝁䞁䝟䜲䝹䚸䝏䝳䞊䝙䞁䜾䛻䛴䛔䛶䛃㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䠄ᐩኈ㏻䠅㻌 㻝㻡㻦㻟㻜㻙㻝㻢㻦㻜㻜㻌 ఇ᠁㻌 㻝㻢㻦㻜㻜㻙㻝㻤㻦㻜㻜㻌 㻌 䛂ᐇ⩦ 㻝㻌 䝁䞁䝟䜲䝹䛃㻌 㻝㻤㻦㻜㻜㻙㻝㻥㻦㻟㻜㻌 㻌 ኤ㣗䠇ఇ᠁㻌 㻝㻥㻦㻟㻜㻙㻞㻝㻦㻟㻜㻌 㻌 䛂᪂䝯䞁䝞䞊◊✲⤂䛃䠄▼ᮧஓ䚸ᆏୗ㐩ဢ䠅㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌㻌㻌 䛂ᅛ᭷್ィ⟬䝹䞊䝏䞁䛻䛴䛔䛶䛾ពぢ䛃㻌 㻌㻌㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㐍⾜䠖ᆏୗ㐩ဢ㻌 䠄≀ᛶ◊䠅㻌 㻌 䠷㻞 ᪥┠䠹㻌 㻌 㻥㻦㻜㻜㻙㻝㻜㻦㻟㻜㻌 㻌 䛂ᐇ⩦ 㻞㻌 䝏䝳䞊䝙䞁䜾䜒䛧䛟䛿䝁䞁䝟䜲䝹䛃㻌 㻝㻜㻦㻟㻜㻙㻝㻝㻦㻜㻜㻌 㻌 ఇ᠁㻌 㻝㻝㻦㻜㻜㻙㻝㻞㻦㻟㻜㻌 㻌 䛂ᐇ⩦ 㻟㻌 䝏䝳䞊䝙䞁䜾䜒䛧䛟䛿䝁䞁䝟䜲䝹䛃㻌 㻝㻞㻦㻟㻜㻙㻝㻟㻦㻟㻜㻌 㻌 㣗䠇ఇ᠁㻌 㻝㻟㻦㻟㻜㻙㻝㻡㻦㻟㻜㻌 㻌 䛂ᐇ⩦ 㻠㻌 䝏䝳䞊䝙䞁䜾䜒䛧䛟䛿䝁䞁䝟䜲䝹䛃㻌 㻝㻡㻦㻟㻜㻙㻝㻢㻦㻜㻜㻌 㻌 ఇ᠁㻌 㻝㻢㻦㻜㻜㻙㻝㻤㻦㻜㻜㻌 㻌 䛂ᐇ⩦ 㻡㻌 䝏䝳䞊䝙䞁䜾䜒䛧䛟䛿䝁䞁䝟䜲䝹䛃㻌 㻝㻤㻦㻜㻜㻙㻝㻥㻦㻟㻜㻌 㻌 ኤ㣗䠇ఇ᠁㻌 㻝㻥㻦㻟㻜㻙㻞㻝㻦㻜㻜㻌 㻌 䛂ᗙㄯ㻌 ㉸୪ิ௦䛾䝥䝻䜾䝷䝮ᩚഛ䞉⥅⥆㛤Ⓨ䛃㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ヰ㢟ᥦ౪㻌 ᾆኵඛ⏕䠄⚄ᡞ䠅㻌 㻌 㻌 45 添付資料 ５ 㻌 䠷㻟 ᪥┠䠹㻌 㻌 㻥㻦㻜㻜㻙㻝㻜㻦㻟㻜㻌 㻌 䛂ᐇ⩦ 㻢㻌 䝏䝳䞊䝙䞁䜾䜒䛧䛟䛿䝁䞁䝟䜲䝹䛃㻌 㻝㻜㻦㻟㻜㻙㻝㻝㻦㻜㻜㻌 㻌 ఇ᠁㻌 㻝㻝㻦㻜㻜㻙㻝㻞㻦㻜㻜㻌 㻌 䛂Ⓨ⾲䝇䝷䜲䝗స䜚䛃㻌 㻝㻞㻦㻜㻜㻙㻝㻟㻦㻜㻜㻌 㻌 㣗䠇ఇ᠁㻌 㻝㻟㻦㻜㻜㻙㻝㻠㻦㻜㻜㻌 㻌 䛂᪂䝯䞁䝞䞊◊✲⤂䛃䠄ஂಖẎ䚸す⃝ᏹ䚸Ỉཱྀ᭸Ꮚ䠖㡰ྠ䠅㻌 㻝㻠㻦㻜㻜㻙㻝㻡㻦㻜㻜㻌 㻌 䛂ᡂᯝⓎ⾲䛃㻌 㻌 㻌 䛆䛚ၥ䛔ྜ䜟䛫䛇㻌 㻯㻹㻿㻵㻌 ົᒁ㻌 㼑㼙㼍㼕㼘㻦㻌㼍㼐㼙㻙㼛㼒㼒㼕㼏㼑㻬㼏㼙㼟㻙㼕㼚㼕㼠㼕㼍㼠㼕㼢㼑㻚㼖㼜㻌 㼀㻱㻸㻦㻌㻜㻠㻙㻣㻝㻟㻢㻙㻟㻞㻣㻥㻌 㻌 㻌 ௨ୖ㻌 46 添付資料 ５ ሗ࿌᭩䠎䠔 㓄ᕸඛ సᡂ᪥㻌 2012 ᖺ 8 ᭶ 1 ᪥ No.㻌 CMSI-12-10 㛵ಀྛ ➨ 4 ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 2012 ᖺ 7 ᭶ 26 ᪥(ᮌ) 16:00-17:30 ሙᡤ䠖 ⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖 ኴ⏣ ோ 䠄⚄ᡞศᏊ䝣䜷䝖䝃䜲䜶䞁䝇◊✲䝉䞁䝍䞊) 䝍䜲䝖䝹䠖 2 ḟඖ䝣䝷䝇䝖䝺䞊䝅䝵䞁⣔◊✲䛾⌧≧䛸ᑗ᮶䠖ᐇ㦂ᐙ䛾どⅬ䛛䜙ぢ䛯ᩘ್ィ⟬䜈䛾ᮇᚅ 䛆㛤ദᴫせ䛇 2 ḟඖ䝣䝷䝇䝖䝺䞊䝅䝵䞁⣔䛾୰䛷䜒 S=1/2 䜹䝂䝯᱁Ꮚᙉ☢ᛶయ䛿䚸⌮ㄽⓗ䛻᭱䜒䝣䝷䝇䝖䝺䞊䝅䝵䞁䛜ᙉ䛔⣔䛸⪃䛘䜙䜜䛶䛚䜚䚸 ᐇ㦂ⓗ䛻䜒ᙉ䛔⯆䛜ᣢ䛯䜜䛶䛔䜛䚹᭱㏆䚸Herbertsmithite䚸 Volborthite䚸 Vesignieite 䛺䛹 S=1/2 䜹䝂䝯᱁Ꮚᙉ☢ᛶ య䛾䝰䝕䝹䛜ከᩘྜᡂ䛥䜜䚸ᐇ㦂ⓗ䛺◊✲䛜㐍䜑䜙䜜䛶䛔䜛䛜䚸䛭䛾☢⋡ ᐃ䜔☢㐣⛬䛾ᐇ㦂⤖ᯝ䛿ᚲ䛪䛧䜒⌮ㄽ䛾 ண䛸䛿୍⮴䛩䜛䜒䛾䛻䛿䛺䛳䛶䛔䛺䛔䚹䛭䛣䛷䚸ᡃ䚻䛾ᙉ☢ሙ㟁Ꮚ䝇䝢䞁ඹ㬆(ESR)䜢ྵ䜑䛯ᐇ㦂䛾⌧≧䜢ᴫほ䛩䜛䛸䛸䜒䛻䚸 ⌮ㄽ䜔ᩘ್ィ⟬䛾⤖ᯝ䛸䛾ẚ㍑䜢⾜䛔䚸ᚋᩘ್ィ⟬䜈䛾ᮇᚅ䜢ᐇ㦂ᐙ䛾❧ሙ䛛䜙⪃䛘䛶䜏䛯䛔䚹䜎䛯䚸㛫䛜チ䛫䜀䚸䝣 䝷䝇䝖䝺䞊䝅䝵䞁䜢ᣢ䛴䝝䝙䜹䝮᱁Ꮚᙉ☢ᛶయ◊✲䛾⌧≧䛻䜒䜅䜜䛯䛔䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 47 添付資料 ５ ሗ࿌᭩䠎䠕 㓄ᕸඛ సᡂ᪥㻌 2012 ᖺ 9 ᭶ 25 ᪥ No.㻌 CMSI-12-12 㛵ಀྛ ➨ 5 ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 2012 ᖺ 9 ᭶ 24 ᪥(᭶) 16:00-17:30 ሙᡤ䠖 ⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖 ୰ᮧṇ᫂ 䠄ᮾᕤ䠅 䝍䜲䝖䝹䠖 ศᩘ㔞Ꮚ䝩䞊䝹≧ែ䜢グ㏙䛩䜛ཝᐦ䛻ゎ䛡䜛୍ḟඖ᱁Ꮚᶍᆺ 䛆㛤ദᴫせ䛇 ᡃ䚻䛿䚸᭱ప䝷䞁䝎䜴‽䛾༨᭷⋡䛜䃜=1/q 䛸䛺䜛ศᩘ㔞Ꮚ≧ែ(䝷䝣䝸䞁䝅䝸䞊䝈)䜢グ㏙䛩䜛䚸ཝᐦ䛻ゎ䛡䜛୍ḟඖ᱁Ꮚᶍ ᆺ䜢ぢฟ䛧䛯䚹ᚓ䜙䜜䜛ཝᐦᇶᗏ≧ែ䛿䝷䝣䝸䞁䛾Ἴື㛵ᩘ䛸䛝䛺䜸䞊䝞䞊䝷䝑䝥䜢ᣢ䛱䚸䛭䛾ᛶ㉁䜢䜘䛟グ㏙䛩䜛䚹䜎䛯䚸⾜ ิ✚䛾᪉ἲ䛻䜘䜚䚸ᐦᗘ㛵ᩘ䚸┦㛵㛵ᩘ䚸䜶䞁䝍䞁䜾䝹䝯䞁䝖䝇䝨䜽䝖䝹䛺䛹䛾≀⌮㔞䛜ゎᯒⓗ䛻ィ⟬䛥䜜䜛䚹ཝᐦ䛻ゎ䛡䜛ᶍ ᆺ䛿䝷䝣䝸䞁䛾Ἴື㛵ᩘ䛸➼౯䛺 Trugman-Kivelson ᆺᨃ䝫䝔䞁䝅䝱䝹䛸ྠ䛨ゎᯒⓗᵓ㐀䜢ᣢ䛱䚸䝷䝣䝸䞁䛾Ἴື㛵ᩘ䛾୍⯡ ⓗ䛺ᛶ㉁䚸䛯䛸䛘䜀༨᭷⋡䛾ศẕ䛾അወ䛻䜘䜛ᛶ㉁䛾㐪䛔䚸䝣䜵䝹䝭⣔䛸䝪䞊䝈⣔䛾ᑐᛂ㛵ಀ䛺䛹䜢⮬↛䛻ᑟ䛟䛣䛸䛜䛷䛝䜛䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 48 添付資料 ５ ሗ࿌᭩䠏䠌 㓄ᕸඛ సᡂ᪥㻌 2012 ᖺ 11 ᭶ 7 ᪥ No.㻌 CMSI-12-16 㛵ಀྛ ➨ 6 ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 2012 ᖺ 11 ᭶ 6 ᪥(ⅆ) 16:00-17:30 ሙᡤ䠖 ⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖 ሯ㞝୍ (⌮◊ AICS) 䝍䜲䝖䝹䠖 㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䛻䜘䜛䝝䝙䜹䝮᱁Ꮚ䝝䝞䞊䝗ᶍᆺ䛾つᶍᩘ್ィ⟬ 䛆㛤ദᴫせ䛇 䝝䝙䜹䝮᱁Ꮚୖ䛾䝝䝞䞊䝗ᶍᆺ䛿䝝䞊䝣䝣䜱䝹䝗䛾ሙྜ䚸ᙅ┦㛵ഃ䛷༙㔠ᒓ䚸ᙉ┦㛵ഃ䛷ᙉ☢ᛶ䝰䝑䝖⤯⦕య䛸䛺䜛䚹᭱㏆䚸 䛣䜜䜙䛾୰㛫䛾ẚ㍑ⓗᗈ䛔㡿 ᇦ䛻䛚䛔䛶䝇䝢䞁ᾮయ┦䛜Ꮡᅾ䛩䜛䛣䛸䜢♧၀䛩䜛ሗ࿌䛜䛒䛳䛯䚹䛭䜜䛻ᑐ䛧ᡃ䚻䛿䜘䜚䛝䛺⣔䜎䛷ィ⟬䜢⾜䛔ヲ⣽䛺᭷㝈 䝃䜲䝈䝇䜿䞊䝸䞁䜾䜢⾜䛖䛷䚸䝇䝢䞁ᾮయ┦䛿ᑡ䛺䛟䛸䜒䛭䛾䜘䛖䛺ᗈ䛔㡿ᇦ䛻䛿Ꮡᅾ䛧䛘䛪䚸༙㔠ᒓ䛛䜙ᙉ☢ᛶ䝰䝑䝖⤯⦕ య䜈䛾༢୍䛾䝰䝑䝖㌿⛣䛷䛒䜛䛣䛸䜢♧䛩⤖ㄽ䜢ᚓ䛯䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 49 添付資料 ５ ሗ࿌᭩䠏䠍 㓄ᕸඛ సᡂ᪥㻌 2012 ᖺ 12 ᭶ 12 ᪥ No.㻌 CMSI-12-19 㛵ಀྛ ➨ 7 ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 2012 ᖺ 12 ᭶ 11 ᪥(ⅆ) 16:00-17:30 ሙᡤ䠖 ⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖 ⸨ᇽ┾㻌 䠄≀ᛶ◊䠅 䝍䜲䝖䝹䠖 ALPS 䝥䝻䝆䜵䜽䝖: ⌧≧䛸ᑗ᮶ 䛆㛤ദᴫせ䛇 ᙉ┦㛵᱁Ꮚᶍᆺ䛾䝅䝭䝳䝺䞊䝅䝵䞁ᡭἲ䛿䚸㐣ཤ 20 ᖺ䛾㛫䛻䛝䛟Ⓨᒎ䛧䛶䛝䛯䚹୍᪉䚸⌮ㄽᐙ䛜ᵝ䚻䛺䜰䜲䝕䜰䜢ヨ䛩䝒䞊 䝹䛸䛧䛶䚸䛒䜛䛔䛿ᐇ㦂ᐙ䛜ᐇ㦂⤖ᯝ䜢ゎᯒ䛩䜛䝒䞊䝹䛸䛧䛶䚸ಙ㢗ᛶ䛜㧗䛟䛔䜔䛩䛔䝅䝭䝳䝺䞊䝅䝵䞁䝋䝣䝖䜴䜵䜰䜈䛾せᮃ 䛜㧗䜎䛳䛶䛔䜛䚹䛧䛛䛧䛺䛜䜙䚸䛾ศ㔝䛸␗䛺䜚䚸ᙉ┦㛵᱁Ꮚ⣔䛾ศ㔝䛻䛚䛔䛶䛿䚸䛾䛸䛣䜝䛂䝁䝭䝳䝙䝔䜱䞊䝁䞊䝗䛃䛿Ꮡᅾ䛧 䛶䛚䜙䛪䚸ィ⟬⛉Ꮫ䛾ᑓ㛛ᐙ䛜䝥䝻䝆䜵䜽䝖ẖ䛻ఱ㐌㛫䜒䛛䛡䛶ಶ䚻䛾䝁䞊䝗䜢㛤Ⓨ䞉ಟṇ䜢⾜䛖䛣䛸䜒䛧䜀䛧䜀䛷䛒䜛䚹 ALPS (Algorithms and Libraries for Physics Simulations)䝥䝻䝆䜵䜽䝖䛿䚸㔞Ꮚ☢ᛶయ䚸᱁Ꮚ䝪䝌䞁⣔䚸ᙉ┦㛵䝣䜵䝹䝭䜸 䞁⣔䛺䛹ᙉ┦㛵㔞Ꮚ᱁Ꮚᶍᆺ䛾䝅䝭䝳䝺䞊䝅䝵䞁䛯䜑䛾䜸䞊䝥䞁䝋䞊䝇䝋䝣䝖䜴䜵䜰䛾㛤Ⓨ䜢┠ᣦ䛩ᅜ㝿ඹྠ䝥䝻䝆䜵䜽䝖䛷䛒䜛䚹 ᮏ䝥䝻䝆䜵䜽䝖䛷䛿 XML 䜔 HDF5 䛻ᇶ䛵䛟ඹ㏻ධฟຊ䝣䜯䜲䝹ᙧᘧ䛾ᥦ䚸䝋䝣䝖䜴䜵䜰㛤Ⓨ䛾ᇶ┙䛸䛺䜛䝷䜲䝤䝷䝸䚸ゎᯒ䜔 ྍど䛾䛯䜑䛾䝒䞊䝹䚸䝅䝭䝳䝺䞊䝅䝵䞁䝥䝻䜾䝷䝮䛺䛹䛾㛤Ⓨ䛺䛹䜢⾜䛳䛶䛔䜛䚹ALPS 䛷䛿䚸ྂ/㔞Ꮚ䝰䞁䝔䜹䝹䝻ἲ䚸ཝᐦ ᑐゅ䚸DMRG䚸ືⓗᖹᆒሙ㏆ఝ䛾䛯䜑䛾 QMC 䝋䝹䝞䛺䛹䚸ᇶᮏⓗ䛛䛴㔜せ䛺䜰䝹䝂䝸䝈䝮䛻ᇶ䛵䛟䝅䝭䝳䝺䞊䝅䝵䞁䝥䝻䜾 䝷䝮䛜⏝ព䛥䜜䛶䛚䜚䚸ィ⟬≀⌮䛾ᑓ㛛ᐙ䛷䛺䛟䛸䜒ᡭ㍍䛻䝅䝭䝳䝺䞊䝅䝵䞁䜢ጞ䜑䜛䛣䛸䛜䛷䛝䜛䚹ᮏ䝉䝭䝘䞊䛷䛿䚸ALPS 䝥䝻 䝆䜵䜽䝖䛾⌧≧䜢⤂䛧䚸ᚋ䛾ㄢ㢟䛻䛴䛔䛶㆟ㄽ䛧䛯䛔䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 50 添付資料 ５ ሗ࿌᭩䠏䠎 㓄ᕸඛ సᡂ᪥㻌 2013 ᖺ 1 ᭶ 29 ᪥ No.㻌 CMSI-12-28 㛵ಀྛ ➨ 8 ᅇ 䛂ி䛃≀ᛶ䝉䝭䝘䞊 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 2013 ᖺ 1 ᭶ 28 ᪥(᭶) 16:00-17:30 ሙᡤ䠖 ⌮Ꮫ◊✲ᡤ ィ⟬⛉Ꮫ◊✲ᶵᵓ 1F R104-2 ㆟ᐊ ㅮᖌ䠖 㔝ཱྀ༤ྖ 䠄≀ᛶ◊䠅 䝍䜲䝖䝹䠖 䛫䜣᩿ὶ䚸⣽⟶ὶ୰䛾㉥⾑⌫䚸⬡㉁䝧䝅䜽䝹䛾䝎䜲䝘䝭䜽䝇 䛆㛤ദᴫせ䛇 ㉥⾑⌫䛿ኚᙧ䛩䜛䛣䛸䛷⮬㌟䛾┤ᚄ䜘䜚⣽䛔ẟ⣽⾑⟶䜢䛺䛜䜜䜛䛣䛸䛜䛷䛝䜛䚹⢾ᒀ䛺䛹䛾Ẽ➼䛷㉥⾑⌫䛾ኚᙧ⬟䛜ⴠ䛱 䜛䛸⾑ὶ䛻ᨭ㞀䛜⏕䛨䜛䚹ᚑ䛳䛶䚸⣽⬊䛾ኚᙧ䛸㐠ື䛾⤌䜏䜢⌮ゎ䛩䜛䛣䛸䛿䚸་Ꮫⓗ䛺ぢᆅ䛛䜙䜒㔜せ䛷䛒䜛䚹䛭䛣䛷䚸⢏ Ꮚ⊧ീ䛾ィ⟬ᡭἲ䛾䜂䛸䛴䛷䛒䜛 multi-particle collision dynamics (MPC)䜢⏝䛔䛶䚸ὶ䜜䛻䜘䜛㉥⾑⌫䚸⬡㉁䝧䝅䜽䝹䛾 䝎䜲䝘䝭䜽䝇䜢◊✲䛧䛯䚹 ༢⣧䛫䜣᩿ὶ䛻䛚䛔䛶䚸䛫䜣᩿ᙉᗘ䚸⭷䛾⢓ᗘ䚸䝧䝅䜽䝹䛾య✚䛺䛹䛻౫Ꮡ䛧䛶䚸⬡㉁䝧䝅䜽䝹䛾㐠ື≧ែ(tank-treading, tumbling, swinging)䛜ኚ䜟䜛䛸ඹ䛻䚸䝧䝅䜽䝹䛾ᙧែ㌿⛣䛜㉳䛣䜛䚹ὶ䜜䛻䜘䛳䛶䚸┙≧䛾䝧䝅䜽䝹䛜Წ≧䛻ᘬ䛝ᘏ䜀䛥䜜 䛯䜚䚸䜎䛯㏫䛻⦰䜑䜙䜜䛯䜚䛩䜛䚹䛣䜜䜙䛾䝎䜲䝘䝭䜽䝇䛿 2 ኚᩘ䛾ᚤศ᪉⛬ᘧ䛷⌮ゎ䛩䜛䛣䛸䛜䛷䛝䜛䚹 ⣽⟶୰䜢ὶ䜜䜛㉥⾑⌫䛿䚸పᐦᗘ䛷䛿ὶ㏿䛾ቑຍ䛻క䛔䚸┙≧䛛䜙䝟䝷䝅䝳䞊䝖≧䜈ᙧែ㌿⛣䛩䜛䚹䛭䜜䛻క䛔䚸⁐ᾮ䛾 ὶయᢠ䛿ῶᑡ䛩䜛䚹䛣䜜䜙䛾⤖ᯝ䛿㉥⾑⌫䛾ᐇ㦂䛸䜘䛔୍⮴䜢䛩䜛䚹㧗ᐦᗘ䛻䛺䜛䛸䚸䝇䝸䝑䝟≧䛻ኚᙧ䛧䛶䚸2 ิ䛷䝆䜾䝄䜾 䛻୪䜆䛣䛸䛜᫂䜙䛛䛸䛺䛳䛯䚹䛣䛾ᐦᗘ䛷䛿⇕ᦂ䜙䛞䛻䜘䛳䛶䚸୍ิ䛻୪䜣䛰䝟䝷䝅䝳䞊䝖≧ែ䛿Ᏻᐃ䛩䜛䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䛈277-8581㻌 ༓ⴥ┴᯽ᕷ᯽䛾ⴥ 5-1-5 TEL: 04(7136)3279 / FAX: 04(7136)3441 Email: adm-office[at]cms-initiative.jp ௨ୖ 51 添付資料 ５ ሗ࿌᭩䠏䠏 㓄ᕸඛ సᡂ᪥㻌 2013 ᖺ 2 ᭶ 8 ᪥ No.㻌 CMSI-12-29 㛵ಀྛ ➨ 1 ᅇ CMSI ⚄ᡞ䝝䞁䝈䜸䞁䠖FMO ㅮ⩦ సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖㻌 ᖹᡂ䠎䠑ᖺ䠎᭶䠓᪥䠄ᮌ䠅㻌 13:00 - 18:00 ሙᡤ䠖㻌 CMSI ⚄ᡞศᐊ䠄⌮Ꮫ◊✲ᡤ䞉ィ⟬⛉Ꮫ◊✲ᶵᵓ䞉5 㝵 501 ྕᐊ䠅 ཷㅮேᩘ䠖㻌 䠔ྡ䠄ඛ╔㡰䠅 ㅮᖌ䠖㻌 ᾆኵ䠄⚄ᡞᏛ䠅䚸Dmitri G. Fedorov䠄⏘ᴗᢏ⾡⥲ྜ◊✲ᡤ䠅 䛆䝥䝻䜾䝷䝮䛇 13:00-14:00 FMO ἲ䛾ᇶ♏䛸ᛂ⏝ 14:00-15:00 GAMESS 䛻䛴䛔䛶䠄FMO ἲ䛾ᐇ䛸䛔᪉䠅 (ఇ᠁䠅 15:10-17:00 ධຊ䝕䞊䝍䛾సᡂ䛸ィ⟬ᐇ⩦ 17:00-18:00 ィ⟬⤖ᯝ䛾ྍど䛸㉁ᛂ⟅ 䈜ィ⟬ᐇ⩦䛿 64 䝁䜰䜢ᣢ䛴䝽䞊䜽䝇䝔䞊䝅䝵䞁䛷⾜䛖䚹 䈜ィ⟬ᐇ⩦䛾䛯䜑䛻䝛䝑䝖䝽䞊䜽䛻᥋⥆䛷䛝䜛 Windows 䝜䞊䝖䝟䝋䝁䞁䜢ᣢཧ䛩䜛䚹 䈜ᣢཧ䛩䜛䝜䞊䝖䝟䝋䝁䞁䛻䛿䚸➃ᮎ䝋䝣䝖䠄PuTTY 䛺䛹䠅䛸䝣䜯䜲䝹㌿㏦䝋䝣䝖䠄WinSCP 䛺䛹䠅䜢䜲䞁䝇䝖䞊䝹䛧䛶䛚䛟䚹䛥䜙䛻䚸 FMO ィ⟬䛾⤖ᯝ䜢ྍど䛩䜛䛯䜑䛻ศᏊ䝰䝕䝸䞁䜾䝋䝣䝖 Facio 䜢䜲䞁䝇䝖䞊䝹䛧䛶䛚䛟䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䠄⚄ᡞᣐⅬ䠅 Tel: 078-940-5681 E-mail: adm-kobe[at]cms-initiative.jp ௨ୖ 52 添付資料 ５ ሗ࿌᭩䠏䠐 㓄ᕸඛ 㛵ಀྛ CMSI ⱝᡭᢏ⾡ὶ䠄ྜᐟ䠅 䠷➨ᅇ䠹 సᡂ᪥㻌 2013 ᖺ 2 ᭶ 18 ᪥ No.㻌 CMSI-12-30 䛂ி䛾ຠ⋡⏝䛾䛯䜑䛾ᢏ⾡⩦ᚓ䛸ඹ᭷䛃 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖㻌 2013 ᖺ 2 ᭶ 14 ᪥䠄ᮌ䠅13:00 䡚 16 ᪥䠄ᅵ䠅15:00 䠄ணᐃ䠅 ሙ䠖㻌 䜻䝱䝑䝇䝹䜲䞁㔠ἑ 䠷䜰䜽䝉䝇䠹 ᐃဨ䠖㻌 40 ྡ ദ䠖㻌 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䠄CMSI䠅 ඹദ䠖㻌 㧗ᗘሗ⛉Ꮫᢏ⾡◊✲ᶵᵓ䠄RIST䠅 䛆㛤ദ᪨䛇 ➨ 7 ᅇ CMSI ⱝᡭᢏ⾡ὶ䛷䛿䚸䛂ி䛾ຠ⋡⏝䛾䛯䜑䛾ᢏ⾡⩦ᚓ䛸ඹ᭷䛃䜢䝔䞊䝬䛻䚸⌮Ꮫ◊✲ᡤ䛾༡ඛ⏕䛻䜘䜛ி䛷 䛾䝏䝳䞊䝙䞁䜾䛻㛵䛩䜛ㅮ₇䛸䚸ᐩኈ㏻䛛䜙ㅮᖌ䜢䛚䜃䛧䛶䚸䝥䝻䝣䜯䜲䝷䛾䛔᪉䛸䝕䞊䝍䛾ㄞ䜏᪉䛻䛴䛔䛶䛾ㅮ⩏䜢ணᐃ䚹 䛣䜜䜢ཷ䛡䛶䚸ศᏊ◊䛾 FX10 䜢䛳䛶ྛ⮬䛾䝥䝻䜾䝷䝮䛾䝏䝳䞊䝙䞁䜾䚸᪂つཧຍ⪅䠄Ꮫ⏕䛾᪉Ḽ㏄䟿䠅䛻䛿ᐩኈ㏻ CPU ᦚ㍕䝬䝅䞁䛻័䜜䜛䛯䜑䝁䞁䝟䜲䝹䛻ᣮᡓ䛩䜛䚹ᐇ⩦୰䛿 RIST䚸ᐩኈ㏻䛾᪉䚻䛻䛔䛴䛷䜒㉁ၥ䛩䜛䛣䛸䛜䛷䛝䜛䚹 㻌 䝏䝳䞊䝙䞁䜾䛻ྲྀ䜚⤌䜐᪉䛿䚸䛒䜙䛛䛨䜑ྲྀᚓ䛧䛯䝥䝻䝣䜯䜲䝷䛾䝕䞊䝍䜒䛧䛟䛿ᕼᮃ䜢ᇶ䛻䚸㔜Ⅼⓗ䛻ྲྀ䜚⤌䜐ෆᐜ䠄SIMD ⋡ྥୖ, 䜻䝱䝑䝅䝳䝭䝇๐ῶ,䝇䝺䝑䝗୪ิຠ⋡ྥୖ,㏻ಙຠ⋡ྥୖ䛺䛹䠅䛤䛸䛻䜾䝹䞊䝥䛻ศ䛛䜜䛶䚸ྛ䜾䝹䞊䝥ෆ䛷㆟ㄽ䛸 ሗඹ᭷䜢䛧䛺䛜䜙㐍䜑䜛䚹䛭䛾䛯䜑䚸1 ᭶୰䛻ྛ⮬䛾䝥䝻䜾䝷䝮䛾ᇶᮏ䝥䝻䝣䜯䜲䝷䛾䝕䞊䝍䜢 FX10 䛷ྲྀᚓ䛧䚸CMSI ົᒁ䛻 ᥦฟ䛩䜛䛣䛸䚹㻌 䝁䞁䝟䜲䝹䛻ྲྀ䜚⤌䜐᪉䛿䚸⌧ᅾ◊✲䛷⏝䛧䛶䛔䜛䝥䝻䜾䝷䝮䜢ὶᙜ᪥䛻ᣢཧ䛩䜛䚹 䠘ὶ䜎䛷䛾䝇䜿䝆䝳䞊䝹䠚 12 ᭶ 28 ᪥ 㻌 㻌 ཧຍ⥾ษ 1 ᭶ึ䜑㻌 㻌 㻌 FX10 䜰䜹䜴䞁䝖Ⓨ⾜ 1 ᭶ᮎ㻌 㻌 㻌 2 ᭶ 14-16 ᪥ ᇶᮏ䝥䝻䝣䜯䜲䝷䛾䝕䞊䝍ᥦฟ䠄䝏䝳䞊䝙䞁䜾䛻ྲྀ䜚⤌䜐᪉䠅 ⱝᡭᢏ⾡ὶ 䈜CMSI ᣐⅬ◊✲ဨ䛾᪉䛿ཧຍᚲ㡲䛷䛩䚹䠄≉ู䛺⌮⏤䛷ཧຍ䛾ሙྜ䛿䚸䛭䛾᪨㐃⤡䠅 䈜CMSI 㔜Ⅼ◊✲ဨ䛾᪉䜒ཧຍ䛷䛝䜛䜘䛖䚸㞠⏝㈐௵⪅䛾᪉䛸᪥⛬ㄪᩚ䜢䛩䜛䚹 䛆䝥䝻䜾䝷䝮䛇 䠷➨䠍᪥䠖䠎᭶䠍䠐᪥䠹 13:00-15:00 ㅮ₇㻌 䠄༡୍⏕㻌 ⌮Ꮫ◊✲ᡤ䠅 15:00-15:30 ㅮ⩏㻌 䠄ᐩኈ㏻䠅 15:30-16:00 ఇ᠁ 16:00-18:00 䛂ᐇ⩦ 䝏䝳䞊䝙䞁䜾䜒䛧䛟䛿䝁䞁䝟䜲䝹䛃 18:00-19:30 ኤ㣗 19:30-21:00 ᗙㄯ 䠄ᑗ᮶ HPCI ㄪᰝ◊✲䛾ㄝ᫂䛸ᚋ䛾ィ⟬⛉Ꮫ䛻䛴䛔䛶䠄௬䠅䠅 53 添付資料 ５ 䠷➨䠎᪥䠖䠎᭶䠍䠑᪥䠹 9:00-12:00 ᐇ⩦+ఇ᠁ 12:00-13:30 㣗 13:30-18:00 ᐇ⩦+ఇ᠁ 18:00-20:00 ኤ㣗 20:00-21:30 䜰䝥䝸㛤Ⓨ䞉බ㛤䛻㛵䛩䜛ពぢ 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 䝋䝣䝖䜴䜵䜰䛾බ㛤䛸䛿䠛 䡚䜰䝥䝸 café 䛾ά⏝ἲ䡚 䠷➨䠏᪥䠖䠎᭶䠍䠒᪥䠹 9:00-12:00 ᐇ⩦+ఇ᠁ 12:00-13:30 㣗 13:30-14:30 ᐇ⩦ 14:30-15:00 ᡂᯝⓎ⾲ 䛆䛚ၥ䛔ྜ䜟䛫䛇 CMSI ົᒁ email: [email protected] TEL: 04-7136-3279 ௨ୖ 54 添付資料 ５ ሗ࿌᭩䠏䠑 㓄ᕸඛ సᡂ᪥㻌 2013 ᖺ 3 ᭶ 7 ᪥ No.㻌 CMSI-12-32 㛵ಀྛ ➨ 2 ᅇ CMSI ⚄ᡞ䝝䞁䝈䜸䞁䠖 ALPS 䝏䝳䞊䝖䝸䜰䝹 సᡂ CMSI ົᒁ ୕ᾆ 䛆㛤ദせ㡯䛇 ᪥䠖 ᖹᡂ 25 ᖺ 3 ᭶ 6 ᪥(Ỉ) 13:00-18:00 ሙᡤ䠖 CMSI ⚄ᡞᣐⅬ (⌮Ꮫ◊✲ᡤ䞉ィ⟬⛉Ꮫ◊✲ᶵᵓ䞉5 㝵 R501) ཷㅮேᩘ䠖 8 ྡ (ඛ╔㡰) ㅮᖌ䠖 ⸨ᇽ┾ (ᮾ≀ᛶ◊)䚸ᯇᑿᙪ (RIST)䚸༑ᔒ ு (ᮾ≀ᛶ◊) ദ䠖㻌 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤䠄CMSI䠅 ඹദ䠖㻌 㧗ᗘሗ⛉Ꮫᢏ⾡◊✲ᶵᵓ䠄RIST䠅 䛆ᮏㅮ⩦䛾ᑐ㇟⪅䛇 䈄ALPS 䝷䜲䝤䝷䝸䜢⏝䛔䛯୪ิ䜰䝥䝸䜿䞊䝅䝵䞁䛻㛵ᚰ䜢䛚ᣢ䛱䛾᪉ 䈄C++䛒䜛䛔䛿 Fortran 䛻䜘䜛䝅䝭䝳䝺䞊䝅䝵䞁䝁䞊䝗㛤Ⓨ䛾⤒㦂䛾䛒䜛᪉ 䈄UNIX 䛷䛾䝣䜯䜲䝹᧯స䚸⦅㞟䚸䝁䝬䞁䝗䛾ᐇ⾜➼䛻័䜜䛶䛔䜛᪉ 䠄୪ิィ⟬䚸୪ิ䝥䝻䜾䝷䝭䞁䜾䛾⤒㦂䛿ၥ䛔䜎䛫䜣䠅 䛆䝥䝻䜾䝷䝮䛇 13:00-13:10 ₇⩦⎔ቃタᐃ 13:10-14:00 ALPS 䛾ᴫせ 14:00-15:00 ALPS 䛾䜲䞁䝇䝖䞊䝹䛸ᐇ⾜ 䠄ᐇ⩦䠅 䠄ఇ᠁䠅 15:30-16:30 ALPS 䝇䜿䝆䝳䞊䝷䛾ᴫせ 16:30-18:00 ALPS 䝷䜲䝤䝷䝸䞉䝇䜿䝆䝳䞊䝷䜢⏝䛔䛯୪ิ䜰䝥䝸䜿䞊䝅䝵䞁䛾㛤Ⓨ 䠄ᐇ⩦䠅 䈜ィ⟬ᐇ⩦䛿 64 䝁䜰䜢ᣢ䛴䝽䞊䜽䝇䝔䞊䝅䝵䞁䛷⾜䛖䚹 䈜ィ⟬ᐇ⩦䛾䛯䜑䛻䝛䝑䝖䝽䞊䜽䛻᥋⥆䛷䛝䜛 Windows 䝜䞊䝖䝟䝋䝁䞁䜢ᣢཧ䛩䜛䚹 䈜ᣢཧ䛩䜛䝜䞊䝖䝟䝋䝁䞁䛻䛿䚸➃ᮎ䝋䝣䝖䠄PuTTY 䛺䛹䠅䛸䝣䜯䜲䝹㌿㏦䝋䝣䝖䠄WinSCP 䛺䛹䠅䜢䜲䞁䝇䝖䞊䝹䛧䛶䛚䛟䚹䛥䜙䛻䚸 FMO ィ⟬䛾⤖ᯝ䜢ྍど䛩䜛䛯䜑䛻ศᏊ䝰䝕䝸䞁䜾䝋䝣䝖 Facio 䜢䜲䞁䝇䝖䞊䝹䛧䛶䛚䛟䚹 䛆䛚ၥ䛔ྜ䜟䛫䛇 ィ⟬≀㉁⛉Ꮫ䜲䝙䝅䜰䝔䜱䝤ົᒁ 䠄⚄ᡞᣐⅬ䠅 Tel: 078-940-5681 E-mail: adm-kobe[at]cms-initiative.jp ௨ୖ 55 添付資料 ５ ሗ࿌᭩䠏䠒 㓄ᕸඛ 㛵ಀྛ ᅜ㝿䝽䞊䜽䝅䝵䝑䝥 సᡂ᪥㻌 2013 ᖺ 2 ᭶ 8 ᪥ No.㻌 CMSI-12-36 సᡂ GCOE interdisciplinary workshop on numerical methods for many-body CMSI ົᒁ ୕ᾆ correlations 䛆㛤ദせ㡯䛇 ᪥䠖㻌 2013 ᖺ 2 ᭶ 5 ᪥䠄ⅆ䠅䡚6 ᪥䠄Ỉ䠅 ሙᡤ䠖㻌 ᮾிᏛᮏ㒓䜻䝱䞁䝟䝇 ⌮Ꮫ㒊䠐ྕ㤋䠏㝵 1320 ྕᐊ ദ䠖㻌 ศᏊ⛉Ꮫ◊✲ᡤ㻌 ィ⟬ศᏊ⛉Ꮫ◊✲ᣐⅬ 䛆㛤ദ᪨䛇 ㏆ᖺ䛾ィ⟬ᶵᛶ⬟䛾㣕㌍ⓗྥୖ䛻క䛔䚸ᵝ䚻䛺㔞Ꮚከయ⣔䛻䛚䛔䛶䚸ከయ┦㛵䛻䜘䜛ຠᯝ䜢ṇ㠃䛛䜙ᩘ್ⓗ䛻ྲྀ䜚ᢅ䛖䛣䛸 䛜ྍ⬟䛸䛺䛳䛶䛔䜎䛩䚹䛣䛾䜘䛖䛺⫼ᬒ䛻䛿䚸ィ⟬ᶵ䛾㐍ᒎ䛰䛡䛷䛺䛟䚸ィ⟬ᡭἲ䛻㛵䛩䜛Ⓨᒎ䜒䛔䛻ᐤ䛧䛶䛔䜎䛩䚹ཎᏊ ᰾䚸㔞ᏊᏛ䚸ᅛయ≀⌮䛺䛹䛾ከᒱ䛻䜟䛯䜛Ꮫၥศ㔝䛷䚸ᑐ㇟䛸䛩䜛≀⌮⣔䛻ᛂ䛨䛯䛥䜎䛦䜎䛺ᡭἲ䛜⊂❧䛻㛤Ⓨ䛥䜜䛶䛔䜛 䛯䜑䚸䛣䜜䜙䛾ᡭἲ䜔ඹ㏻䛩䜛ㄢ㢟䜢᳨ウ䛧䚸ᚋ䛾ᒎᮃ䜢㆟ㄽ䛩䜛䛣䛸䜢┠ⓗ䛸䛧䜎䛩䚹 䛆䝥䝻䜾䝷䝮䛇 䠷➨䠍᪥䠖㻌 2 ᭶ 5 ᪥䠹 13:30 - 13:50 M. Imada (U. Tokyo) Opening 13:50 - 14:30 S. Tsuneyuki (U. Tokyo) Recent development in the transcorrelated method for condensed matter 14:30 - 15:10 J. Anderson (McMaster U.) GKCI approach to solving the nuclear structure Schrodinger equation 15:10 - 15:40 --- break --- 15:40 - 16:20 T. Mizusaki (Senshu U.) Variational Monte Carlo for shell model 16:20 - 17:00 S. Morita (U. Tokyo) Many-variable variational Monte-Carlo method 17:30 ---- Reception --- 䠷➨䠎᪥䠖 2 ᭶ 6 ᪥䠹 10:30 - 11:10 K. Yabana (Tsukuba U.) A hybrid density functional + configuration mixing approach for light nuclei 11:10 - 11:50 S. Sakai (U. Tokyo) Dynamical mean-field theory and its cluster extensions --- lunch --- 13:30 - 14:10 C. J. Umrigar (Cornell U.) Semistochastic quantum Monte Carlo: pros and cons relative to diffusion Monte Carlo 14:10 - 14:50 M. Nakata (RIKEN) Direct variational calculation of second-order reduced density matrix: application to the two-dimensional Hubbard model 14:50 - 15:30 H. Nakano (U. Hyogo) Numerical-diagonalization study of two-dimensional frustrated magnets by huge-scale parallelization 56 添付資料 ５ 15:30 - 15:50 --- break --- 15:50 - 16:30 N. Tomita (Yamagata U.) 16:30 - 17:10 N. Shimizu (U. Tokyo) Resonating Hartree-Fock method and its application to the Hubbard and Lipkin models Energy-variance extrapolation in the Monte Carlo shell model 17:10 - 17:20 T. Otsuka (U. Tokyo) Closing 䛆䛚ၥ䛔ྜ䜟䛫䛇 CMSI ົᒁ email: [email protected] TEL: 04-7136-3279 ௨ୖ 57 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 㻌 ᮏሗ࿌᭩ࡣࠊᖹᡂ ᖺᗘࠊᩥ㒊⛉Ꮫ ┬ࡢ㧗ᛶ⬟ỗ⏝ィ⟬ᶵ㧗ᗘ⏝ᴗ ࡼࡿ⿵ຓ㔠࡛᥎㐍ࡋࡓࠕ+3&, ᡓ␎ࣉࣟ ࢢ࣒ࣛࠖ 㸦௦⾲ᶵ㛵㸹ᮾிᏛ≀ᛶ◊✲ ᡤ㸧ࡢᐇ㛵ࡍࡿᡂᯝሗ࿌᭩࡛࠶ࡿࠋ
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