Computer Simulation of Liquids pdf epub mobi txt 电子书 下载 2025
- MD
- 分子模拟
- simulation
- 分子动力学
- computer_simulation_of_liquids
- Programming
- M._P._Allen
- 蒙特卡洛
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.
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It was recommended by my prof for my independent research. Straight forward explanation, but fundamental knowledge of physical chemistry and programming are prerequisites.
评分年代久远，但仍不过时
评分行业圣经级别的教材，虽然古董但还是得看啊
评分行业圣经级别的教材，虽然古董但还是得看啊
评分这个比Frenkel的那本胜在了分析深度，但没题目练习、编排也相当紧巴巴，一不留神眼睛就看瞎的节奏。。。
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