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.
具體描述
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用戶評價
非常好的一本書。自洽、嚴密。就是有時候感覺作者把自己繞進去瞭，思路稍復雜。
评分終於看完瞭不過之後遇到可能還會不停翻翻翻
评分前五章對分子動力學入門亦有幫助
评分Statistical Mechanics
评分內容上比Frenkel&Smit友好，前三章介紹瞭經典力學、熱力學和統計力學，然後再進入分子模擬，很適閤沒有物理基礎的學生。講法上不太友好，推導和證明很繁瑣很形式化，過分追求generality，一大堆符號容易看暈。
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