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3. Introduction to Modeling and Simulation½²Òå ÎļþÃû£º MIT spring2006---Introduction to Modeling and Simulation.pdf ÓÐÐֵܷ¢µÄÀàËÆµÄ ¼ûÒÔÏÂÌû×Ó£º http://www.muchong.com/bbs/viewthread.php?tid=725838&pid=6295878&page=1#pid6295878 ÎÒÕâ¸öÊÇ2006ÄêµÄ Ã²ËÆ×îÐÂ×îÈ«µÄ°É Ö÷½²ÓÐProf. S. YipµÈÅ£ÈË ÐÂÁ´½Ó£ºhttp://www.fs2you.com/files/56bc149c-ede3-11dc-ac3c-0014221b798a/ [ Last edited by lei0736 on 2008-3-9 at 22:16 ] |
3Â¥2008-03-05 21:29:32
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2. The Art of Molecular Dynamics Simulation ÎļþÃû:D C Rapaport---The Art of Molecular Dynamics Simulation.pdf ÐÂÁ´½Ó£ºhttp://www.fs2you.com/zh-cn/file ... -80a5-0014221f4662/ ¡¾×÷Õß¡¿Dennis C Rapaport ¡¾³ö°æÕß¡¿Cambridge University Press ¡¾³ö°æÈÕÆÚ¡¿1995 ¡¾¼Û¸ñ¡¿¡ê29.95 ¡¾ISBN¡¿0521599423 ¡¾Ö÷ÒªÄÚÈÝ¡¿ 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 ] |
2Â¥2008-03-05 21:23:36
lei0736
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4. Understanding Molecular Simulation From Algorithms to Applications ÎļþÃû£º D.Frenkel---Understanding Molecular Simulation From Algorithms to Applications.rar °üº¬ÖÐÎÄÁ½±¾£¬¼°ÅäÌ×Á·Ï°£¬³ÌÐò 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 Óгæ×Ó·¢¹ý http://muchong.com/html/200608/297413.html £¬ºÇºÇ£¬ÎªÁË·½±ã´ó¼ÒÎÒ¼¯ÖÐÔÙ·¢Ò»±é ÖÐÎİ棺 http://www.fs2you.com/files/b6416c40-ede4-11dc-9086-0014221b798a/ Ó¢Îİ棺 http://www.fs2you.com/files/8677f10a-ede4-11dc-8636-0014221f3995/ ¸½´ø³ÌÐòºÍÁ·Ï°£º 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 ] |
4Â¥2008-03-05 21:41:41
lei0736
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5. Statistical Mechanics - Algorithms and Computations ÎļþÃû£º Statistical Mechanics - Algorithms and Computations, Krauth, Oxford 2006.pdf Ö÷Òª½²MCËã·¨£¬Ç³ÏÔ Description This book discusses the computational approach in modern statistical physics in a clear and accessible way and demonstrates its close relation to other approaches in theoretical physics. Individual chapters focus on subjects as diverse as the hard sphere liquid, classical spin models, single quantum particles and Bose-Einstein condensation. Contained within the chapters are in-depth discussions of algorithms, ranging from basic enumeration methods to modern Monte Carlo techniques. The emphasis is on orientation, with discussion of implementation details kept to a minimum. Illustrations, tables and concise printed algorithms convey key information, making the material very accessible. The book is completely self-contained and graphs and tables can readily be reproduced, requiring minimal computer code. Most sections begin at an elementary level and lead on to the rich and difficult problems of contemporary computational and statistical physics. The book will be of interest to a wide range of students, teachers and researchers in physics and the neighbouring sciences. An accompanying CD allows incorporation of the book's content (illustrations, tables, schematic programs) into the reader's own presentations. Reviews "This book is the best one I have reviewed all year."-- Physical Sciences Educational Reviews ---------------------------------------------------------------------------------------------------- ÐÂÁ´½Ó http://www.fs2you.com/files/8eabfdae-ede5-11dc-8b4e-0014221f3995/ [ Last edited by lei0736 on 2008-3-9 at 22:32 ] |
5Â¥2008-03-05 21:47:35













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