Lehrende/r: Dr. Denis Andrienko; Dr. Giovanni Settanni; apl. Prof. Dr. Peter Virnau
Veranstaltungsart: Vorlesung/Übung
Anzeige im Stundenplan: 08.128.801
Semesterwochenstunden: 4
Credits: 6,0
Unterrichtssprache: Deutsch
Min. | Max. Teilnehmerzahl: - | -
Voraussetzungen / Organisatorisches: This lecture/hands-on course provides an introduction to computer simulation methods in statistical physics. The course targets both bachelor and master students familiar with the general tools of theoretical physics, in particular statistical mechanics. The course is taught in English and can be listed as “Spezial” or “Vertiefende” Vorlesung. Format: 3 hour lectures and 1 hour exercises per week
Inhalt: Recap of thermodynamics and introduction to error analysis. Classical molecular dynamics: integration algorithms, accuracy, thermostats and barostats, Ewald summation. Monte Carlo and kinetic Monte Carlo: importance sampling, canonical ensemble, master equation. Grand-canonical simulations and free energy methods. Atomistic force fields: multipole expansion, electrostatics, induction, and van der Waals interactions. Hands-on examples: molecular dynamics simulation of biomolecules, Ising model, charge transport.
Empfohlene Literatur: "Understanding Molecular Simulation, Second Edition: From Algorithms to Applications" by Daan Frenkel & Berend Smit
