Computer Simulation of Liquids (Oxford Science Publications) - Couverture souple

Allen, M. P.

Couverture souple

ISBN 10 : 0198556454 ISBN 13 : 9780198556459

Editeur : Clarendon Press, 1989

Synopsis

A first in its field, this book is both an introduction to computer simulation of liquids for upper level undergraduates and a how-to guide for specialists. The authors discuss the latest simulation techniques of molecular dynamics and the Monte Carlo methods as well as how to avoid common programming pitfalls. Theoretical concepts and practical programming advice are amply reinforced with examples of computer simulation in action and samples of Fortran code. The authors have also included a wide selection of programs and routines on microfiche to aid chemists, physicists, chemical engineers, and computer scientists, as well as graduate and advanced students in chemistry.

A propos du livre

Présentation de l'éditeur

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.

Revue de presse

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

Détails de l'édition

• Éditeur: Clarendon Press
• Date d'édition: 1989
• Langue: anglais
• ISBN 10: 0198556454
• ISBN 13: 9780198556459
• Reliure: Broché
• Nombre de pages: 408
• Coordonnées du fabricant: non disponible
• Personne responsable: Ufficio Anagrafiche Messaggerie; ufficio.anagrafiche@meli.it; ; Via Verdi, 8; Assago Milano; 20090; Italie