Principles of Statistical Physics and Numerical Modeling

Computers have radically changed our approach to statistical physics. Monte Carlo methods and molecular dynamics calculations have replaced laborious and mathematically difficulty analytical methods. Even with a moderate programming ability, or using ready prepared packages, students and researchers can perform direct numerical calculations for all kinds of thermodynamic ensembles. This accessibility, coupled with the comparatively little effort required, has revolutionised not only the teaching of statistical physics but is helping shape our understanding of many particle systems.

This unique text introduces classical statistical mechanics with the novel approach of using molecular dynamic simulations to both teach and explore the subject. Theory is presented and backed up with simulation results and provision is made for students to develop and implement their own simulations to transfer the theory of molecular simulations into computational models. Although one of the main priorities of the text is the simplicity of the presentation, all the results of numerical simulations are accompanied by comprehensive theoretical treatment, requiring of the reader only a basic knowledge of classical mechanics and mathematics at the graduate level.

The book will be essential reading for students who will find in its pages a clear and concise description of the subject, illustrated by numerous figures and animations. It will be useful also for professionals wishing to receive, not only an extremely vivid and contemporary understanding of key concepts of statistical physics, but also assist them directly in the modeling of properties of materials and biomolecular systems in their own research.