Hauptseminar Theorie und Simulation der weichen Materie WS 2014/2015/Monte Carlo and Molecular Dynamics simulations of hard sphere systems

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Date

Topic

Monte Carlo and Molecular Dynamics simulations of hard sphere systems

Speaker

Michael Geiger

Tutor

Jens Smiatek

Contents

• Principles of Monte-Carlo (MC) and Molecular Dynamics (MD) simulations
• Importance sampling
• Ergodic hypothesis
• Methods of integration: Symplectic algorithms
• Comparison between MC/MD: advantages and drawbacks

Literature

• Daan Frenkel, Berend Smit.
  Understanding Molecular Simulation: From Algorithms to Applications.
  Part of Computational Science, volume 1. Edition 2.
  Academic Press, San Diego, 2002. ISBN: 978-0-12-267351-1.
  [DOI]
• Mike P. Allen, Dominik J. Tildesley.
  Computer Simulation of Liquids.
  Part of Oxford Science Publications. Edition 1.
  Clarendon Press, Oxford, 1987.