205440
Vorlesung
SoSe 14: Computational Molecular Physics
Petra Imhof, Frank Noe
Hinweise für Studierende
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Kommentar
This module teaches the theoretical basics and simulation techniques for simple stochastic systems (e.g. molecular models, ising models, diffusion in model potentials). Physical principles for stochastic trajectories and ensembles are combined with 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, convergence and implementation of Monte Carlo methods for the computation of stationary expectation values
- Kinetics: Rate theories, time correlations and other time-dependent expectations
- Molecular dynamics simulation: Theory, construction, convergence and implementation of MD simulations for the computation of dynamical expectation values
12 Termine
Regelmäßige Termine der Lehrveranstaltung
Mo, 14.04.2014 12:00 - 14:00
Mo, 28.04.2014 12:00 - 14:00
Mo, 05.05.2014 12:00 - 14:00
Mo, 12.05.2014 12:00 - 14:00
Mo, 19.05.2014 12:00 - 14:00
Mo, 26.05.2014 12:00 - 14:00
Mo, 02.06.2014 12:00 - 14:00
Mo, 16.06.2014 12:00 - 14:00
Mo, 23.06.2014 12:00 - 14:00
Mo, 30.06.2014 12:00 - 14:00
Mo, 07.07.2014 12:00 - 14:00
Mo, 14.07.2014 12:00 - 14:00