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 and Berend Smit.
  "Understanding Molecular Simulation".
  Academic Press, San Diego, 2002.
  [DOI]
• Mike P. Allen and Dominik J. Tildesley.
  "Computer Simulation of Liquids".
  Oxford Science Publications, Clarendon Press, Oxford, 1987.