20115701
Vorlesung
SoSe 15: Computational Molecular Physics
Petra Imhof
Kommentar
This module teaches the theoretical basics for simulation of simple stochastic systems (e.g. molecular models, ising models, diffusion in model potentials). Physical principles for stochastic trajectories and ensembles are combined with a discussion of simulation techniques that are able to generate appropriate data.
In more detail, we will cover:
Statistical mechanics: basis and derivations to the most important physical ensembles. Boltzmann distribution, Partition function, Expectations
Monte-Carlo simulation: Theory, construction, and convergence of Monte Carlo methods for the computation of stationary expectation values
Molecular dynamics simulation: Theory, construction, and convergence of MD simulations for the computation of dynamical expectation values
Kinetics: Rate theories, time correlations and other time-dependent expectations
Schließen
13 Termine
Regelmäßige Termine der Lehrveranstaltung
Mo, 13.04.2015 12:00 - 14:00
Mo, 20.04.2015 12:00 - 14:00
Mo, 27.04.2015 12:00 - 14:00
Mo, 04.05.2015 12:00 - 14:00
Mo, 11.05.2015 12:00 - 14:00
Mo, 18.05.2015 12:00 - 14:00
Mo, 01.06.2015 12:00 - 14:00
Mo, 08.06.2015 12:00 - 14:00
Mo, 15.06.2015 12:00 - 14:00
Mo, 22.06.2015 12:00 - 14:00
Mo, 29.06.2015 12:00 - 14:00
Mo, 06.07.2015 12:00 - 14:00
Mo, 13.07.2015 12:00 - 14:00