Lehrende/r: Dr. Giovanni Settanni; apl. Prof. Dr. Marialore Sulpizi; apl. Prof. Dr. Peter Virnau
Veranstaltungsart: online: Vorlesung/Übung
Anzeige im Stundenplan: 08.128.801
Semesterwochenstunden: 4
Credits: 6,0
Unterrichtssprache: Englisch
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 with an interest in computational approaches for the solution problems in Physics and Computer Science. 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: Short introduction to basic concepts of thermodynamics, statistical mechanics 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. Quantum mechanical approaches and density functional theory. Hands-on examples: molecular dynamics simulation of biomolecules, Ising model
Empfohlene Literatur: "Understanding Molecular Simulation, Second Edition: From Algorithms to Applications" by Daan Frenkel & Berend Smit
Digitale Lehre: The course will take place in digital format .
