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This book provides a practical guide to molecular dynamics and Monte Carlo simulation techniques used in the modelling of simple and complex liquids. Computer simulation is an essential tool in studying the chemistry and physics of condensed matter, complementing and reinforcing both experiment and theory. Simulations provide detailed information about structure and dynamics, essential to understand the many fluid systems that play a key role in our daily lives:
polymers, gels, colloidal suspensions, liquid crystals, biological membranes, and glasses. The second edition of this pioneering book aims to explain how simulation programs work, how to use them, and how to interpret the results, with examples of the latest research in this rapidly evolving field.
Accompanying programs in Fortran and Python provide practical, hands-on, illustrations of the ideas in the text. This new edition is a welcome update and has kept the strengths of the first edition and been thoroughly refreshed and expanded for the modern age. Whilst there is now much more competition for a textbook such as this, the new edition stands head-and-shoulders above the others and is therefore strongly recommended. * Matt Probert, Contemporary Physics *

Computer Simulation of Liquids

1: Introduction

2: Statistical mechanics

3: Molecular dynamics

4: Monte Carlo methods

5: Some tricks of the trade

6: Long-range forces

7: Parallel simulation

8: How to analyse the results

9: Advanced Monte Carlo methods

10: Rare event simulation

11: Nonequilibrium molecular dynamics

12: Mesoscale methods

13: Quantum simulations

14: Inhomogeneous fluids

App. A Computers and computer simulation

App. B Reduced units

App. C Calculation of forces and torques

App. D Fourier transforms and series

App. E Random numbers

App. F Configurational temperature