19244601 Vorlesung

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
Schließen

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)
Schließen

13 Termine

Regelmäßige Termine der Lehrveranstaltung

Mo, 12.04.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 19.04.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 26.04.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 03.05.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 10.05.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 17.05.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 31.05.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 07.06.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 14.06.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 21.06.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 28.06.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 05.07.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

Mo, 12.07.2021 16:00 - 18:00
Methods of Molecular Simulations

Dozenten:
Univ.-Prof. Dr. Felix Höfling

Räume:
A6/SR 025/026 Seminarraum (Arnimallee 6)

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