Training, Support and Qualification Program

Computersimulation in der statistischen Physik

Instructors: Dr. Giovanni Settanni; apl. Prof. Dr. Marialore Sulpizi; apl. Prof. Dr. Peter Virnau
Shortname: 08.128.801
Course No.: 08.128.801
Course Type: Vorlesung/Übung
Format: online

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 

Digital teaching

The course will take place in digital format.

Recommended reading list

       "Understanding Molecular Simulation, Second Edition: From Algorithms to Applications" by Daan Frenkel & Berend Smit 

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

Dates

Date (Day of the week) Time Location
11/04/2020 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
11/05/2020 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
11/11/2020 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
11/12/2020 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
11/18/2020 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
11/19/2020 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
11/25/2020 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
11/26/2020 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
12/02/2020 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
12/03/2020 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
12/09/2020 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
12/10/2020 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
12/16/2020 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
12/17/2020 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/06/2021 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/07/2021 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/13/2021 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/14/2021 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/20/2021 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/21/2021 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/27/2021 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
01/28/2021 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
02/03/2021 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
02/04/2021 (Thursday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude
02/10/2021 (Wednesday) 14:15 - 16:00 00 319 C 01
2321 - Schulz-Horner-Gebäude