19244601
Vorlesung
SoSe 25: 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
Regelmäßige Termine der Lehrveranstaltung
Di, 15.04.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 22.04.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 29.04.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 06.05.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 13.05.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 20.05.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 27.05.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 03.06.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 10.06.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 17.06.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 24.06.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 01.07.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 08.07.2025 12:00 - 14:00
Methods of Molecular Simulations
Di, 15.07.2025 12:00 - 14:00
Methods of Molecular Simulations