Computer Simulation of Liquids
Clarendon Press
Published on 1. June 1989
Book
Paperback/Softback
408 pages
978-0-19-855645-9 (ISBN)
Article exhausted; check for reprint
Description
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 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.
Reviews / Votes
' The book is comprehensive, thorough and readable...succeeds in its purpose admirably.' Chemistry in BritainMore details
Language
English
Place of publication
Oxford
United Kingdom
Publishing group
Oxford University Press
Target group
College/higher education
Illustrations
figures throughout
Dimensions
Height: 232 mm
Width: 150 mm
Thickness: 21 mm
Weight
612 gr
ISBN-13
978-0-19-855645-9 (9780198556459)
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Schweitzer Classification
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Book
06/2017
2nd Edition
Oxford University Press
€85.50
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Persons
Author
Lecturer in PhysicsUniversity of Bristol
Senior Lecturer in ChemistryUniversity of Southampton
Content
Introduction; Statistical mechanics; Molecular dynamics; Monte Carlo methods; Some tricks of the trade; How to analyse the results; Advanced simulation techniques; Non-equilibrium molecular dynamics; Brownian dynamics; Quantum simulations; Some applications; Appendices; References; Index.