Computer Simulation of Liquids by M P Allen

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Computer Simulation of Liquids by M P Allen

Summary

Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data, and can be used to evaluate approximate theories of liquids. This book presents an introduction to the molecular dynamics and Monte Carlo methods.

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Computer Simulation of Liquids by M P Allen

Computer simulation is an essential tool in studying the chemistry and physics of liquids. Simulations allow us to develop models and to test them against experimental data. They can be used to evaluate approximate theories of liquids, and to provide detailed information on the structure and dynamics of model liquids at the molecular level. This book is an introduction and practical guide to the molecular dynamics and Monte Carlo methods. The first four chapters describe these methods in detail, and provide the essential background in intermolecular forces and statistical mechanics. Chapters 5 and 6 emphasize the practical aspects of writing efficient programs and analysing the simulation results. The remaining chapters cover advanced techniques, non-equilibrium methods, Brownian dynamics, quantum simulations, and some important applications. FORTRAN code is presented in the text.
' The book is comprehensive, thorough and readable..succeeds in its purpose admirably.' Chemistry in Britain
SKU Unavailable
ISBN 13 9780198556459
ISBN 10 0198556454
Title Computer Simulation of Liquids
Author M P Allen
Condition Unavailable
Binding Type Paperback
Publisher Oxford University Press
Year published 1989-06-01
Number of pages 408
Cover note Book picture is for illustrative purposes only, actual binding, cover or edition may vary.
Note Unavailable