The pace of advances in computer simulations continues unabated. This Second Edition of our 'guide' to Monte Carlo simulations updates some of the references and includes numerous-additions. New text describes algorithmic developments that appeared too late for the first edition or, in some cases, were excluded for fear that the volume would become too thick.Nonetheless, the older work often provides valuable pedagogical information for the student and may also be more readable than more recent, and more compact, papers. An additional advantage is that the reader can easily reproduce some of the older results with only a modest investment of modern computer resources. We have also added a brief new chapter that provides an overview of some areas outside of physics where traditional Monte Carlo methods have made an impact. Lastly, a few misprints have been corrected, and we thank our colleagues for pointing them out.

This new and updated deals with all aspects of Monte Carlo simulation of complex physical systems encountered in condensed-matter physics and statistical mechanics as well as in related fields, for example polymer science, lattice gauge theory and protein folding.

After briefly recalling essential background in statistical mechanics and probability theory, the authors give a succinct overview of simple sampling methods. The next several chapters develop the importance sampling method, both for lattice models and for systems in continuum space. The concepts behind the various simulation algorithms are explained in a comprehensive fashion, as are the techniques for efficient evaluation of system configurations generated by simulation (histogram extrapolation, multicanonicai sampling, Wang-Landau sampling, thermodynamic integration and so forth). The fact that simulations deal with small systems is emphasized. The text incorporates various finite size scaling concepts to show how a careful analysis of finite size effects can be a useful tool for the analysis of simulation results. Other chapters also provide introductions to quantum Monte Carlo methods, aspects of simulations of growth phenomena and other systems far from equilibrium, and the Monte Carlo Renormalization Group approach to critical phenomena. A brief overview of other methods of computer simulation is given, as is an outlook for the use of Monte Carlo simulations in disciplines outside of physics. Many applications, examples and exercises are provided throughout the book. Furthermore, many new references have been added to highlight both the recent technical advances and the key applications that they now make possible.

This is an excellent guide for graduate students who have to deal with computer simulations in their research, as well as postdoctoral researchers, in both physics and physical chemistry. It can be used as a textbook for graduate courses on computer simulations in physics and related disciplines.

Preface

1 Introduction

2 Some necessary background

3 Simple sampling Monte Carlo methods

4 Importance sampling Monte Carlo methods

5 More on importance sampling Monte Carlo methods for lattice systems

6 Off-lattice models

7 Reweighting methods

8 Quantum Monte Carlo methods

9 Monte Carlo renormalization group methods

10 Non-equilibrium and irreversible processes

11 Lattice gauge models:a brief introduction

12 A brief review of other methods of computer simulation

13 Monte Carlo methods outside of physics

14 Outlook

Appendix:listing of programs mentioned in the text

Index