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Understanding Molecular Simulation: From Algorithms to Applications, second edition
Daan Frenkel and Berend Smit
From the Preface: "The book is aimed at readers who are active in computer simulation, or are planning to become so. Computer simulators are continuously confronted with questions concerning the choice of technique, because there is a bewildering variety of computational tools available. We believe that, in order to make a rational choice, a good understanding of the physics behind each technique is essential. Our aim is to provide the reader with this background."
A Guide to Monte Carlo Simulations in Statistical Physics
2nd Edition
David P. Landau
University of Georgia
Kurt Binder
Johannes Gutenberg Universität Mainz, Germany
This new and updated edition deals with all aspects of Monte Carlo simulation of complex physical systems encountered in condensed-matter physics, statistical mechanics, and related fields. After briefly recalling essential background in statistical mechanics and probability theory, it gives a succinct overview of simple sampling methods. The concepts behind the simulation algorithms are explained comprehensively, as are the techniques for efficient evaluation of system configurations generated by simulation. It contains many applications, examples, and exercises to help the reader and provides many new references to more specialized literature. This edition includes a brief overview of other methods of computer simulation and an outlook for the use of Monte Carlo simulations in disciplines beyond physics. This is an excellent guide for graduate students and researchers who use computer simulations in their research. It can be used as a textbook for graduate courses on computer simulations in physics and related disciplines.
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