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Instructors: Dr. Arash Nikoubashman; Dr. Giovanni Settanni; apl. Prof. Dr. Marialore Sulpizi
Event type:
Lecture/practice class
Displayed in timetable as:
08.128.801
Hours per week:
4
Credits:
6,0
Language of instruction:
Englisch
Min. | Max. participants:
- | -
Requirements / organisational issues:
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
Contents:
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
Recommended reading list:
"Understanding Molecular Simulation, Second Edition: From Algorithms to Applications" by Daan Frenkel & Berend Smit
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