免费下载书籍地址：PDF下载地址
精美图片
分子模拟入门书籍详细信息
- ISBN：9787510023996
- 作者：暂无作者
- 出版社：暂无出版社
- 出版时间：2010-8
- 页数：638
- 价格：69.00元
- 纸张：暂无纸张
- 装帧：暂无装帧
- 开本：暂无开本
- 语言：未知
- 丛书：暂无丛书
- TAG：暂无
- 豆瓣评分：暂无豆瓣评分
内容简介：
《分子模拟入门(第2版)》由世界图书出版公司出版 。
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
5 Monte Carlo Simulations in Various Ensembles
5.1 General Approach
5.2 Canonical Ensemble
5.2.1 Monte Carlo Simulations
5.2.2 Justification of the Algorithm
5.3 Microcanonical Monte Carlo
5.4 Isobaric-Isothermal Ensemble
5.4.1 Statistical Mechanical Basis
5.4.2 Monte Carlo Simulations
5.4.3 Applications
5.5 Isotension-Isothermal Ensemble
5.6 Grand-Canonical Ensemble
5.6.1 Statistical Mechanical Basis
5.6.2 Monte Carlo Simulations
5.6.3 Justification of the Algorithm
5.6.4 Applications
5.7 Questions and Exercises
6 Molecular Dynamics in Various Ensembles
6.1 Molecular Dynamics at Constant Temperature
6.1.1 The Andersen Thermostat 4
6.1.2 Nos Hoover Thermostat
……
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.
出版社信息：
暂无出版社相关信息，正在全力查找中！
书籍摘录：
暂无相关书籍摘录，正在全力查找中！
在线阅读/听书/购买/PDF下载地址：
在线阅读地址：分子模拟入门在线阅读
在线听书地址：分子模拟入门在线收听
在线购买地址：分子模拟入门在线购买
原文赏析：
This book is not a computer simulation cookbook . our aim is to explain the physics that is behind the " recipes " of molecular simulation of course , we also give the recipes themselves , because otherwise the book would be too abstract to be of much practical use . the scope of this book is necessarily limited : we do not aim to discuss all aspects of computer simulation . rather , we intend to give a unified presentation of those computational tools that are currently used to study the equilibrium properties and , in particular , the phase behavior of molecular and supramolecular substances . moreover , we intentionally restrict the discussion to simulations of classical many - body systems , even though some of the techniques mentioned can be applied to quantum systems as well . and ,...
其它内容：
书籍介绍
《分子模拟入门(第2版)》由世界图书出版公司出版 。
书籍真实打分
故事情节：7分
人物塑造：7分
主题深度：7分
文字风格：9分
语言运用：4分
文笔流畅：9分
思想传递：9分
知识深度：8分
知识广度：3分
实用性：7分
章节划分：6分
结构布局：8分
新颖与独特：6分
情感共鸣：6分
引人入胜：7分
现实相关：4分
沉浸感：9分
事实准确性：6分
文化贡献：7分
网站评分
书籍多样性：4分
书籍信息完全性：4分
网站更新速度：7分
使用便利性：8分
书籍清晰度：6分
书籍格式兼容性：6分
是否包含广告：5分
加载速度：5分
安全性：7分
稳定性：6分
搜索功能：7分
下载便捷性：6分
下载点评
- 体验满分(195+)
- 博大精深(123+)
- 值得购买(518+)
- 内容齐全(539+)
- 图书多(542+)
- 好评(433+)
- 经典(587+)
- 品质不错(289+)
下载评价
网友 后***之：强烈推荐！无论下载速度还是书籍内容都没话说 真的很良心！
网友 相***儿：你要的这里都能找到哦！！！
网友 扈***洁：还不错啊，挺好
网友 通***蕊：五颗星、五颗星，大赞还觉得不错！~~
网友 寇***音：好，真的挺使用的！
网友 沈***松：挺好的，不错
网友 堵***格：OK，还可以
网友 敖***菡：是个好网站，很便捷
网友 瞿***香：非常好就是加载有点儿慢。