Studies

201
Compulsory

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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

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

Cross-language

201 157
Compulsory

Expectant Mother

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Partly dangerous
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Dangerous
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Nursing Mother

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Partly dangerous
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Dangerous
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AncillaryCourses

Computational Molecular Physics

Expectant Mother

Not dangerous
Partly dangerous
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Dangerous
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Nursing Mother

Not dangerous
Partly dangerous
Alternative Course
Dangerous
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