Computer Simulation of Liquids - Hardcover

Allen, M. P.; Tildesley, D. J.

 
9780198553755: Computer Simulation of Liquids
Hardcover
ISBN 10: 0198553757 ISBN 13: 9780198553755
Verlag: Clarendon Press, 1987

Inhaltsangabe

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 emphasise 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 and on the microfiche included with the book. Computational chemists and physicists; chemical engineers; computer scientists.

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Reseña del editor

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 emphasise 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 and on the microfiche included with the book. Computational chemists and physicists; chemical engineers; computer scientists.

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Verlag
Clarendon Press
Erscheinungsdatum
1987
Sprache
Englisch
ISBN 10 
0198553757
ISBN 13 
9780198553755
Einband
Tapa dura
Anzahl der Seiten
406
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
Ufficio Anagrafiche Messaggerie
ufficio.anagrafiche@meli.it

Via Verdi, 8
Assago Milano
20090
Italien

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