Complex systems that bridge the traditional disciplines of physics, chemistry, biology, and materials science can be studied at an unprecedented level of detail using increasingly sophisticated theoretical methodology and high-speed computers. The aim of this book is to prepare burgeoning users and developers to become active participants in this exciting and rapidly advancing research area by uniting for the first time, in one monograph, the basic concepts of equilibrium and time-dependent statistical mechanics with the modern techniques used to solve the complex problems that arise in real-world applications. The book contains a detailed review of classical and quantum mechanics, in-depth discussions of the most commonly used ensembles simultaneously with modern computational techniques such as molecular dynamics and Monte Carlo, and important topics including free-energy calculations, linear-response theory, harmonic baths and the generalized Langevin equation, critical phenomena, and advanced conformational sampling methods. Burgeoning users and developers are thus provided firm grounding to become active participants in this exciting and rapidly advancing research area, while experienced practitioners will find the book to be a useful reference tool for the field.
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终于看完了不过之后遇到可能还会不停翻翻翻
评分Statistical Mechanics
评分前五章对分子动力学入门亦有帮助
评分内容上比Frenkel&Smit友好,前三章介绍了经典力学、热力学和统计力学,然后再进入分子模拟,很适合没有物理基础的学生。讲法上不太友好,推导和证明很繁琐很形式化,过分追求generality,一大堆符号容易看晕。
评分内容上比Frenkel&Smit友好,前三章介绍了经典力学、热力学和统计力学,然后再进入分子模拟,很适合没有物理基础的学生。讲法上不太友好,推导和证明很繁琐很形式化,过分追求generality,一大堆符号容易看晕。
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