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分子模拟的电子书及讲义(链接已经失效，等待重新上传)
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1. computer simulation of liquid 不用介绍了吧^_^ ------------------------------------------------------------------------------------------------------ 文件名:M.P.Allen---computer simulation of liquid.pdf 附带程序：computer simulation of liquid.zip --------------------------------------------------------------------------------------------------------- 因为有网友反应爱存 网盘（isload.com.cn）速度已经不令人满意了，本人上传时也发现确实如此，因此3月9号开始的书籍会上传到新申请的空间里（即http://www.fs2you.com/zh-cn/），之前的14本也会重新上传（爱存里已经上传的不会删除），并且直接给出下载地址，这个网盘里的文件账户健康指标:到100就会自动删除，请大家踊跃下载，保持活跃度。万一链接失效请及时PM我以便重新上传更新链接。另外4月15号统计，本帖已经有超过2800次的访问量了，同时文件账户健康指标到200了 希望大家踊跃下载啊不然就自动删除了；而本帖的回帖只有寥寥十几，希望大家各取所需的同时也顶一次，呵呵，增加信心！ -------------------------------------------------------------------------------------------------------- —————————————————————————————————————— computer simulation of liquid.zip 新链接：http://www.fs2you.com/files/69a170a6-eddf-11dc-93a7-0014221b798a/ M.P.Allen---computer simulation of liquid.pdf 新链接： http://www.fs2you.com/files/ab527619-ede1-11dc-a33a-0014221f3995/ —————————————————————————————————————— 想不到fs2you也挂的这么快 锋芒太露啊 有时间我会重新上传 大家推荐一下快速稳定的网盘 [ Last edited by lei0736 on 2008-9-5 at 10:05 ] |
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23.Principles Of Nanotechnology Molecular-Based Study Of Condensed Matter In Small Systems Publisher: World Scientific Publishing Company This invaluable book provides a pointed introduction to the fascinating subject of bottom-up nanotechnology with emphasis on the molecular-based study of condensed matter in small systems. Nanotechnology has its roots in the landmark lecture delivered by the famous Nobel Laureate physicist, Richard Feynman, on 29 December 1959 entitled "There's Plenty of Room at the Bottom." By the mid-1980s, it had gained real momentum with the invention of scanning probe microscopes. Today, nanotechnology promises to have a revolutionary impact on the way things are designed and manufactured in the future. Principles of Nanotechnology is self-contained and unified in presentation. It may be used as a textbook by graduate students and even ambitious undergraduates in engineering, and the biological and physical sciences who already have some familiarity with quantum and statistical mechanics. It is also suitable for experts in related fields who require an overview of the fundamental topics in nanotechnology. The explanations in the book are detailed enough to capture the interest of the curious reader, and complete enough to provide the necessary background material needed to go further into the subject and explore the research literature. Due to the interdisciplinary nature of nanotechnology, a comprehensive glossary is included detailing abbreviations, chemical formulae, concepts, definitions, equations and theories 简介 ······ 纳米技术最先由诺贝尔物理学奖获得者、著名的物理学家理查德·费曼在1959年12月29日的一次报告中提出来的。20世纪80年代，扫描探针显微镜发明之后，纳米技术开始快速发展，现在它已成为物品设计和制作中最活跃的前沿应用领域。本书就是作者根据自己37年的研究工作，在给伊利诺依（Illinois）大学的工程、生物和物理类研究生和读过量子力学、统计力学的高年级大学生讲课的讲稿基础上撰写而成的。全书强调在凝聚态物质的分子研究基础上，重点介绍微系统的有趣课题。全书共分11章，分别讲述原子、分子纳米技术的进展;纳米系统中分子间的作用力和势函数;纳米系统的热力学和统计力学;纳米系统的Monto Carlo模拟法;纳米系统的动力学模拟法;纳米系统的计算机模拟和最优化;纳米系统的相变;原子分子的定位安装;分子自组装;动力学组合化学;分子组装的鸟笼结构等。全书提供了丰富的进一步研究的参考文献。 本书除了可用作相关专业的研究生教材和本科生选修课教材之外，还可作为有关专家了解纳米系统学科概貌的参考读物。本书的细致解释，一定会引起读者的广泛关注。考虑到纳米技术是一门跨学科的交叉学科，本书还附上术语解释，包括了缩略语、化学方程式、概念定义、方程和理论等方面，这将为不同学科的读者提供阅读的方便。 作者简介 ······ 曼索里，G.Ali Mansoori，美国Illinois大学生物工程和化学工程系教授、博士。 作者致力于将统计力学和热力学应用于化学工程和生物工程之中，研究范围涉及重油利用、沥青质特征、天然气净化、超临界流体的提取、生物技术和环境污染等。作者已经取得了以下成果:确立了可用于工程设计计算的新的分子溶液理论、多组份混合物的相平衡理论，并将上述两理论用于聚合物溶体、石油贮存流体、煤液化流体以及生物学流体之中;得到由极化分子或亲水性分子组成的反对称混合物的统计力学混合规则;提出了超临界流体萃取和反缩聚的可能技术手段，并将这些技术手段用于天然气的生产和加工过程之中;得出生物学分离的相平衡理论以及在从生物学流体富集生物大分子（蛋白质）过程中的应用;从石油原油中提取沥青质的沉淀和分离技术及其在石油生产和加工过程中的应用等。作者采用了色谱法、界面张力计、沸点升高测定法以及微组分集结、胶体化、微胶粒、聚合等实验方法和统计力学理论，建立了上述的技术设施。 《纳米技术原理》一书是作者近年来对微系统进行分子研究和在凝聚态物理教学工作的基础上编写而成的。 链接 http://www.fs2you.com/files/430fd4c2-f619-11dc-8848-0014221f3995/ |
42楼2008-03-20 09:04:13
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2. The Art of Molecular Dynamics Simulation 文件名:D C Rapaport---The Art of Molecular Dynamics Simulation.pdf 新链接：http://www.fs2you.com/zh-cn/file ... -80a5-0014221f4662/ 【作者】Dennis C Rapaport 【出版者】Cambridge University Press 【出版日期】1995 【价格】￡29.95 【ISBN】0521599423 【主要内容】 This book describes the extremely powerful technique of molecular dynamics simulation, which involves solving the classical many-body problem in contexts relevant to the study of matter at the atomic level. The method allows the prediction of the static and dynamic properties of substances directly from the underlying interactions between the molecules. Because there is no alternative approach capable of handling such a broad range of problems at the required level of detail, molecular dynamics methods have proved themselves indispensable in both pure and applied research. This volume will be of value to advanced students and researchers in physics, chemistry, polymer science and materials science in universities and industrial laboratories. Contents Preface 1 Introduction 2 Basic MD approach soft-disk fluid, methodology, programming, equilibration, sample results. 3 Simulating simple systems equations of motion, potential functions, interaction computations, integration methods, initial state, efficiency, trajectory sensitivity. 4 Equilibrium properties of simple fluids thermodynamics, structure, Voronoi polyhedra, clusters. 5 Dynamical properties of simple fluids transport coefficients, space-time correlation functions. 6 Alternative ensembles feedback and constraint methods for constant temperature and pressure. 7 Nonequilibrium dynamics homogeneous and inhomogeneous systems, sheared flow, heat transport. 8 Rigid molecules dynamics, molecular construction, water, properties, hydrogen bonds. 9 Flexible molecules polymer chains, properties. 10 Geometrically constrained molecules solving the constraint problem, internal forces, alkane chains, properties. 11 Other interactions long-range forces, three-body potentials, dipole fluid, liquid silicon. 12 Step potentials computational scheme, events, results, generalizations. 13 Time-dependent phenomena open systems, thermal convection, obstructed flow. 14 Algorithms for supercomputers MD algorithms for distributed- and vector-processing computers. 15 The future Appendices data management, organizing extensive computations, utility functions, list of variables. Bibliography Indices function index, subject index. [ Last edited by lei0736 on 2008-3-9 at 22:12 ] |
2楼2008-03-05 21:23:36
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3. Introduction to Modeling and Simulation讲义 文件名： MIT spring2006---Introduction to Modeling and Simulation.pdf 有兄弟发的类似的 见以下帖子： http://www.muchong.com/bbs/viewthread.php?tid=725838&pid=6295878&page=1#pid6295878 我这个是2006年的 貌似最新最全的吧 主讲有Prof. S. Yip等牛人 新链接：http://www.fs2you.com/files/56bc149c-ede3-11dc-ac3c-0014221b798a/ [ Last edited by lei0736 on 2008-3-9 at 22:16 ] |
3楼2008-03-05 21:29:32
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4. Understanding Molecular Simulation From Algorithms to Applications 文件名： D.Frenkel---Understanding Molecular Simulation From Algorithms to Applications.rar 包含中文两本，及配套练习，程序 ISBN: 0122673700 Title: Understanding Molecular Simulation: From Algorithms to Applications 1996-08 Author: Daan Frenkel, Berend Smit Publisher: Academic Press Publication Date: 1996-08 Number Of Pages: 443 Average Amazon Rating: 4.5 Summary: Computer simulation techniques have become almost essential in the study of the macro-molecular phenomena and phase behavior on the molecular level. As these techniques become increasingly important, it is necessaryto realize that they are useful tools, but are not the goals of research. With this important distinction in mind, Understanding Molecular Simulation describes simulation techniques along with the physics behind the phenomena that these techniques simulate. Each chapter is comprised of three components: the general theoretical basis, an outline of the necessary computer code, and a few applications which illustrate the use of the technique demonstrated. The chapters also include examples of the typical practical problems that could be solved using each technique. Key Features * Gives a unified presentation of computational tools used to study molecular systems in the equilibrium state * Describes simulation techniques and physics behind the phenomena simulated * Emphasizes important topics of phase behavior and computer simulation of macro-molecular (polymer-type) substances * Includes references to the authors home page where additional information from the authors can be found 有虫子发过 http://muchong.com/html/200608/297413.html ，呵呵，为了方便大家我集中再发一遍 中文版： http://www.fs2you.com/files/b6416c40-ede4-11dc-9086-0014221b798a/ 英文版： http://www.fs2you.com/files/8677f10a-ede4-11dc-8636-0014221f3995/ 附带程序和练习： http://www.fs2you.com/files/77651678-ede4-11dc-aa17-00142218fc6e/ http://www.fs2you.com/files/e2f7989c-ede4-11dc-92b9-0014221f4662/ [ Last edited by lei0736 on 2008-3-9 at 22:28 ] |
4楼2008-03-05 21:41:41