作者：弗兰科尔(DaanFrenkel)
页数：638
出版社：世界图书出版公司
出版日期：2010
ISBN：9787510023996
电子书格式：PDF
PDF下载地址
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 comments that we received from stu-dents and colleagues alike, ended with a remark of the type: “unfortunately,you don’t discuss topic x”.
相关资料
插图：It is difficult to talk about Monte Carlo or Molecular Dynamics programs inabstract terms. The best way to explain how such programs work is to writethem down. This will be done in the present section.Most Monte Carlo or Molecular Dynamics programs are only a few hun- dred to several thousand lines long. This is very short compared to, forinstance, a typical quantum-chemistry code. For this reason, it is not un- common that a simulator will write many different programs that are tailor-made for specific applications. The result is that there is no such thing as a standard Monte Carlo or Molecular Dynamics program. However, the cores of most MD/MC programs are, if not identical, at least very similar. Next,we shall construct such a core. It will be very rudimentary, and efficiency has been traded for clarity. But it should demonstrate how the Monte Carlomethod works.
本书特色
《分子模拟入门(第2版)》由世界图书出版公司出版 。
目录
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
节选
《分子模拟入门(第2版)》主要内容简介：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 comments that we received from stu-dents and colleagues alike, ended with a remark of the type: “unfortunately,you don’t discuss topic x”.