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.
--from amazon.com
評分
評分
評分
評分
MD經典
评分年代久遠,但仍不過時
评分這個比Frenkel的那本勝在瞭分析深度,但沒題目練習、編排也相當緊巴巴,一不留神眼睛就看瞎的節奏。。。
评分書是經典,但是印刷質量差到令人發指。
评分書是經典,但是印刷質量差到令人發指。
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