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分子模拟入门 第2版 弗兰科尔(DaanFrenkel) 世界图书出版公司【正版保证】书籍详细信息
- ISBN:9787510023996
- 作者:暂无作者
- 出版社:暂无出版社
- 出版时间:2010-12
- 页数:638
- 价格:139.00
- 纸张:胶版纸
- 装帧:平装-胶订
- 开本:16开
- 语言:未知
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内容简介:
Why did we write a second edition? A minor revision of the first editionwould have been adequate to correct the (admittedly many) typographicalmistakes. However, many of the nice ments that we received from stu-dents and colleagues alike, ended with a remark of the type: "unfortunately,you don't discuss topic x".
书籍目录:
Preface to the Second Edition
Preface
List of Symbols
1 Introduction
Part 1 Basics
2 Statistical Mechanics
2.1 Entropy and Temperature
2.2 Classical Statistical Mechanics
2.2.1 Ergodicity
2.3 Questions and Exercises
3 Monte Carlo Simulations
3.1 The Monte Carlo Method
3.1.1 Importance Sampling
3.1.2 The Metropolis Method
3.2 A Basic Monte Carlo Algorithm
3.2.1 The Algorithm
3.2.2 Technical Details
3.2.3 Detailed Balance versus Balance
3.3 Trial Moves
3.3.1 Translational Moves
3.3.2 Orientational Moves
3.4 Applications
3.5 Questions and Exercises
4 Molecular Dynamics Simulations
4.1 Molecular Dynamics: The Idea
4.2 Molecular Dynamics: A Program
4.2.1 Initialization
4.2.2 The Force Calculation
4.2.3 Integrating the Equations of Motion
4.3 Equations of Motion
4.3.1 Other Algorithms
4.3.2 Higher-Order Schemes
4.3.3 LiouviUe Formulation of Time-Reversible Algorithms
4.3.4 Lyapunov Instability
4.3.5 One More Way to Look at the Verlet Algorithm
4.4 Computer Experiments
4.4.1 Diffusion
4.4.2 Order-Algorithm to Measure Correlations
4.5 Some Applications
4.6 Questions and Exercises
Part 2 Ensembles
Part 3 Free Energies and Phase Equilibria
Part 4 Advanced Techniques
Part 5 Appendices
作者介绍:
Daan Frenkel (born 1948, Amsterdam) is a Dutch computational physicist.
Frenkel has carried out the largest part of his research at the FOM institute AMOLF in Amsterdam where he has been employed since 1987. Professor Frenkel is one of the select foreign members of the British ´Royal Society´ and has been awarded the title of Rothschild Professor of the University of Cambridge. He is also a recipient of the Aneesur Rahman Prize of the American Physical Society which may be considered as the Nobel prize equivalent in computational physics. In 2001 he was awarded the Spinozapremie, also known as the ´Dutch Nobel prize´. Frenkel has co-authored ´Understanding Molecular Simulation´ which has grown into a handbook used worldwide by aspiring computational physicists. Currently he is a professor at the universities of Amsterdam, Utrecht, Beijing and Cambridge.
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《分子模拟入门(第2版)》由世界图书出版公司出版 。
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