19244601
Vorlesung
SoSe 22: Methods of Molecular Simulations
Felix Höfling
Zusätzl. Angaben / Voraussetzungen
Exercises will be computer based
Kommentar
This course teaches molecular simulation algorithms and techniques, in particular:
- Molecular dynamics algorithm and integrators
- Monte Carlo sampling
- Thermostats and barostats
- Electrostatic treatment
- Implicit vs. explicit solvent methods
Literaturhinweise
It is recommended to get access to or a hard copy of at least one of the following books:
- Allen & Tildesley: Computer simulation of liquids, 2nd ed. (Oxford Univ. Press, 2017)
- Frenkel & Smit: Understanding molecular simulation, 2nd ed. (Acad. Press, London, 2002)
- Tuckerman: Statistical Mechanics: Theory and Molecular Simulation (Oxford Univ. Press, 2010)
- Rapaport: The art of molecular dynamics simulations, 2nd ed. (Cambridge Univ. Press, 2004)
12 Termine
Regelmäßige Termine der Lehrveranstaltung
Mo, 25.04.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 02.05.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 09.05.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 16.05.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 23.05.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 30.05.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 13.06.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 20.06.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 27.06.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 04.07.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 11.07.2022 10:00 - 12:00
Methods of Molecular Simulations
Mo, 18.07.2022 10:00 - 12:00
Methods of Molecular Simulations