Bachelor-Bourse 2016
Gaining free energy by switching back
and forth
Dr. H.J. Risselada & Prof. Dr. Marcus Müller
• The fundamental concepts of statistical mechanics will never
change after Ludwig Boltzmann (1906).
• Not! The irreversible work required to go from state A to B
and visa-verse is related to the free energy difference between
state A and B (Jarzynski, 1997). Lets exploit that!
Your Challenges
• Programming in python (beginner level).
• Perform coarse-grained molecular dynamics simulations (the
Martini model).
• Be the first to exploit the Jarzynski equality to calculate free
energy differences between states in diffusive systems.
What We Can Offer You
• Insights in the field of molecular simulations and biophysics.
• Functional molecular dynamics simulation setups and packages.
• To become author on a scientific publication.
Interested? [email protected]
or [email protected]
http: // www. theorie. physik. uni-goettingen. de/ forschung/ mm/