Computational Aspects of Statistical Physics

Dr. Luca Ghiringhelli
Wahllehrveranstaltung 3233 L 528.

Inhalte der Vorlesung

Die Vorlesung wird in englisch gehalten. Themen der Vorlesung:

Basic Molecular Dynamics: integrators, ergodicity
Basic Metropolis Monte-Carlo: convergence, detailed balance
MD in various ensembles: thermostats
MC in various ensembles: Grand Canonical MC, Multicanonical MC.
Computing free energy and statistics of rare events: application to clusters/molecules and condensed phases
Extra: ab initio atomistic thermodynamics, kinetic Monte Carlo.

Prerequisites: Basic statistical mechanics, partition function, ensembles.

VL: Mo 10:00-12:00 im EW 731