Paperback
Publication Date: 01/06/1989
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.
- ISBN:
- 9780198556459
- 9780198556459
- Category:
- Computer science
- Format:
- Paperback
- Publication Date:
- 01-06-1989
- Language:
- English
- Publisher:
- Oxford University Press
- Country of origin:
- United Kingdom
- Pages:
- 408
- Dimensions (mm):
- 232x150x21mm
- Weight:
- 0.61kg
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You can find this item in:
Statistical physics
3D graphics & modelling
Physical chemistry
Thermodynamics & heat
Chemical engineering
Computer science
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