20115701
Vorlesung
WiSe 17/18: Computational Molecular Physics
Petra Imhof, Felix Höfling
Kommentar
This course presents methods to compute thermodynamic and kinetic properties from molecular simulation data. Methods to generate such data are discussed, complementing the courses "Methods of molecular simulations" and "Molecular simulation II", respectively.
Topics:
- brief repetition of statistical mechanics: ensembles, phase space, equilibrium distribution;
- Metropolis and Markov chain Monte-Carlo; Molecular dynamics;
- Hybrid Monte-Carlo;
- Transition matrix;
- Langevin dynamics, Correlation functions and other data analysis methods
16 Termine
Regelmäßige Termine der Lehrveranstaltung
Mo, 16.10.2017 12:00 - 14:00
Mo, 23.10.2017 12:00 - 14:00
Mo, 30.10.2017 12:00 - 14:00
Mo, 06.11.2017 12:00 - 14:00
Mo, 13.11.2017 12:00 - 14:00
Mo, 20.11.2017 12:00 - 14:00
Mo, 27.11.2017 12:00 - 14:00
Mo, 04.12.2017 12:00 - 14:00
Mo, 11.12.2017 12:00 - 14:00
Mo, 18.12.2017 12:00 - 14:00
Mo, 08.01.2018 12:00 - 14:00
Mo, 15.01.2018 12:00 - 14:00
Mo, 22.01.2018 12:00 - 14:00
Mo, 29.01.2018 12:00 - 14:00
Mo, 05.02.2018 12:00 - 14:00
Mo, 12.02.2018 12:00 - 14:00