19244601
Vorlesung
SoSe 23: 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)
14 Termine
Zusätzliche Termine
Mo, 19.06.2023 10:00 - 12:00Methods of Molecular Simulations
Regelmäßige Termine der Lehrveranstaltung
Mo, 17.04.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 24.04.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 01.05.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 08.05.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 15.05.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 22.05.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 29.05.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 05.06.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 12.06.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 19.06.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 26.06.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 03.07.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 10.07.2023 12:00 - 14:00
Methods of Molecular Simulations
Mo, 17.07.2023 12:00 - 14:00
Methods of Molecular Simulations