Exercises

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Vorlesung

#timestamp 2026-02-19

ideal gas: model of gases that consist of small (relative to volume) molecules with low density (low pressure, low density, high temperature -> above condensation) -> few collisions, collisions only randomize velocity

In a molecular system at equilibrium and the classical limit, the average kinetic energy "stored" in each degree of freedom amounts to $\frac{1}{2}{k}_{B}T$

#timestamp 2026-04-01

You don't want complexity in the model where it doesn't matters

try to find the trade-off between accuracy and complexity

#timestamp 2026-04-23

if only interested in thermodynamic properties -> stochastic methods

monte carlo: typically rel. error $\sim N^{-1/2}$

metropolis sampling: average over trajectory -> (directly) canonical average

#todo what is a boltzmann-weighted ensemble of configurations?

#timestamp 2026-04-30

to calculate structureal properties, one has to do

• gathering
• roto-translational fitting

#todo bootstrapping