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.
- 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).