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Master SERP+ Programme

Fundamentals of Monte Carlo simulations Applications of molecular simulations in physical chemistry


Content

Molecular simulations are perhaps the best tool to explain the observed physico-chemical phenomena on the molecular level. The students learn the models of intermolecular interactions, next the bases of Monte Carlo and Molecular Dynamics simulation techniques. The computer simulations carried out during the laboratory classes show the variety of possible application of molecular simulations.

Recommended Books

  • M.P. Allen, D.J. Tildsley, Computer Simulation of Liquids, Clarendon Press, Oxford (1987).
  • D. Frankel, B. Smit, Understanding Molecular Simulation – From Algorithms to Applications, Academic Press, Oxford (1996).
  • D.W. Heerman, Computer Simulation Methods in Theoretical Physics, Springer-Verlag, Berlin, Heidelberg (1990).

Teaching Staff

Stanislaw Lamperski

Hours

Lecture: 15 h
Practical courses: 30 h

Grading System

Written examination