Computer Simulation of Liquids - Brossura

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

Brossura

ISBN 10: 0198556454 ISBN 13: 9780198556459

Casa editrice: Clarendon Press, 1989

Riassunto

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.

Su questo libro

Recensione:

' The book is comprehensive, thorough and readable...succeeds in its purpose admirably.' Chemistry in Britain

L'autore:

M. P. Allen is at University of Bristol. D. J. Tildesley is at University of Southampton.

Su questa edizione

• Editore: Clarendon Press
• Data di pubblicazione: 1989
• ISBN 10: 0198556454
• ISBN 13: 9780198556459
• Rilegatura: Copertina flessibile
• Numero di pagine: 408