Hauptseminar Theorie und Simulation der weichen Materie SS 2013/MD-MC

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Introduction to Molecular Dynamics and Monte-Carlo Simulations of Soft Matter


  • What is soft matter?
  • Molecular Dynamics
    • Periodic Boundary Conditions
    • Cell lists and Verlet lists
  • Monte-Carlo
  • Differences between MD and MC (time average vs. ensemble average)
  • Sample systems


This one is an introduction to soft matter:

The following book is the "bible" of Molecular Simulation:

This one is another very good book on simulations:

This one is the original paper of the Monte-Carlo method: