本书介绍了基本原理，包括统计力学、Monte Carlo 模拟以及分子动力学模拟；然后介绍系综，包含不同系综的Monte Carlo 模拟以及不同系综的分子动力学模拟；再介绍相平衡，包含自由能计算、无界面相共存以及固体的相平衡；最后介绍高等方法，包含约束、稀有事件、簇移动、复杂流体以及链状分子的自由能。
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 ,... (查看原文)
0 有用 没有水的金鱼 2011-09-01 09:37:02
非常好。
0 有用 炼金术士 2008-06-18 09:27:33
翻译不是很好
0 有用 克莱采奏鸣曲 2018-04-17 08:09:12
只读了蒙卡，写得还不错
0 有用 边文博 2019-07-17 10:38:59
首先这本书名应该叫 Monte Carlo 模拟的算法。然后，就内容而言讲了太多的 How 方法，而较少涉及 What 更少涉及 Why 的引导。综合来看适合作为索引的工具手册使用。然而专门章节的深度不够，需要辅助以其他书籍。建议阅读其算法后面的思想，具体实现细节可按需研究。
0 有用 Duke 2015-11-17 00:36:51
只怪自己热统没学好