Computer Simulation of Liquids
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24 843 Ft
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Product details:
- Publisher Clarendon Press
- Date of Publication 1 June 1989
- ISBN 9780198556459
- Binding Paperback
- No. of pages408 pages
- Size 232x150x21 mm
- Weight 612 g
- Language English
- Illustrations figures throughout 0
Categories
Short 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 book is comprehensive, thorough and readable' Chemistry in Britain
Long 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 book is comprehensive, thorough and readable...succeeds in its purpose admirably.' Chemistry in Britain
Table of Contents:
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.
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