Molecular Simulation Methods in Chemistry

Understanding Molecular Simulation: From Algorithms to Applications, Daan Frenkel and Berend Smit, Academic Press
book web-site
Statistical Mechanics: Theory and Molecular Simulation, Mark E. Tuckerman, Oxford University Press
Computer Simulation of Liquids, M. P. Allen and D. J. Tildesley, Oxford University Press
Programs from the book
Statistical Mechanics: Algorithms and Computations, Werner Krauth, Oxford University Press.
book web-site
Monte Carlo Methods in Statistical Physics, M. E. J. Newman and G.T. Barkema, Oxford University Press
Numerical Recipes in ?: The Art of Scientific Computing, W. H. Press et al., Cambridge University Press
series web-site

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