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小木虫论坛-学术科研互动平台 » 计算模拟区 » 计算模拟 » 资源共享 » 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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panda_wendao

金虫 (小有名气)

★★★★★ 五星级,优秀推荐

lei0736(金币+0,VIP+0):谢谢支持 希望对大家有用
非常赞！！
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51楼2008-03-24 14:36:31
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lei0736

荣誉版主 (职业作家)
26.Matti Hotokkka---Molecular Dynamics Simulation

分子动力学的介绍 92页 入门级别

作者：Matti Hotokkka

摘要/内容：


Mathematical tools

Basic concepts

Monte Carlo method

Molecular Dynamics method

Simple systems

Dynamic systems

Rigid molecules

Flexible molecules

Molecular force fields

链接：
http://www.fs2you.com/files/dc0dd228-fa6d-11dc-b4e1-00142218fc6e/

[ Last edited by lei0736 on 2008-3-25 at 21:30 ]
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52楼2008-03-25 21:27:28
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lei0736

荣誉版主 (职业作家)
27. Intermolecular Interactions: Physical Picture, Computational Methods and Model Potentials


Author: Ilya G. Kaplan
Publisher: John Wiley & Sons
Publication Date: 2006-06-05
Number Of Pages: 380

The subject of this book — intermolecular interactions — is as important in physics as in chemistry and molecular biology. Intermolecular interactions are responsible for the existence of liquids and solids in nature. They determine the physical and chemical properties of gases, liquids, and crystals, the stability of chemical complexes and biological compounds. In the first two chapters of this book, the detailed qualitative description of different types of intermolecular

主要讲分子模拟中用到的各种作用势，作为这个方面的专著 推荐大家一读

链接：
http://www.fs2you.com/files/9a4fca1c-fa6f-11dc-acba-0014221f3995/
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53楼2008-03-25 21:35:26
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lei0736

荣誉版主 (职业作家)
28. Glassy Materials and Disordered Solids: An Introduction to their Statistical Mechanics

The physics of glassy materials and disordered solids presents students with an area of study much more challenging than the physics of crystalline solids. Written by two recognized experts in the field, this highly readable book tackles the subject with the student firmly in mind, beginning with a pedagogical introduction to important concepts such as percolation, fractals, spin glasses, and glasses. Making use of these concepts, the authors show that such systems share many common aspects that can be described within the framework of statistical mechanics. The book is also an essential standard text for researchers on amorphous materials, equally accessible for theorists and experimentalists.

Contents:

Structure and Dynamics of Disordered Matter
Models of Disordered Structures
General Concepts and Physical Properties of Disordered Matter
Supercooled Liquids and the Glass Transition


Readership: Upper level graduates, researchers and lecturers.

还是K. Binder的书

链接：
http://www.fs2you.com/files/0956d34f-fa71-11dc-b039-0014221f4662/

[ Last edited by lei0736 on 2008-3-25 at 22:11 ]
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54楼2008-03-25 21:43:40
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lei0736

荣誉版主 (职业作家)
29. Monte Carlo and Molecular Dynamics Simulations in Polymer Science

By KURT BINDER

Publisher:Oxford University Press, USA 1995-07-27) | ISBN-10: 0195094387 | PDF | 4.3 Mb | 608 page

Written by leading experts from around the world, Monte Carlo and Molecular Dynamics Simulations in Polymer Science comprehensively reviews the latest simulation techniques for macromolecular materials. Focusing in particular on numerous new techniques, the book offers authoritative introductions to solutions of neutral polymers and polyelectrolytes; dynamics of polymer melts, rubbers and gels, and glassy materials; thermodynamics of polymer mixing and mesophase formation, and polymers confined at interfaces and grafted to walls. Throughout, contributors offer practical advice on how to overcome the unique challenges posed by the large size and slow relaxation of polymer coils. Students and researchers in polymer chemistry, polymer physics, chemical engineering, and materials and computational science will all benefit from the cogent, step-by-step introductions contained in this important new book.

继续发 K. Binder系列 做MC的鼻祖吧 提出和拓展了许多算法

链接：
http://www.fs2you.com/files/c93d6eae-fa71-11dc-8c25-0014221f4662/
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55楼2008-03-25 21:49:39
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lei0736

荣誉版主 (职业作家)
30.The Monte Carlo Method in Condensed Matter Physics
K.Binder (Topics in Applied Physics Volume 71)

Topics in Applied Physics 系列 够经典的

链接：
http://www.fs2you.com/files/87c8af94-fa74-11dc-8be8-0014221b798a/
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56楼2008-03-25 22:09:44
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yc1986

金虫 (正式写手)

★★★★★ 五星级,优秀推荐

lei0736(金币+0,VIP+0):呵呵 针对某个方向把基础的看完两三本就可以了 其他的或者有重复或者有侧重 可以参考补充
太强了，我估计这辈子都看不完
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57楼2008-03-25 22:43:36
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lei0736

荣誉版主 (职业作家)
31. Lecture Notes in Physics Volume 166---Computer Simulation of Solids

今天起发布 Lecture Notes in Physics系列 这是SPRINGER出版的系列丛书 有几十年的历史了



链接：
http://www.fs2you.com/files/61de4d5c-fd53-11dc-916c-0014221b798a/
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58楼2008-03-29 13:51:00
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lei0736

荣誉版主 (职业作家)
32.Lecture Notes in Physics Volume 258---Molecular Dynamics

主编 Wm. G. Hoover 相信熟悉MD的对这个人不陌生

链接：
http://www.fs2you.com/files/3f45ce5e-fd54-11dc-acdd-0014221f4662/
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59楼2008-03-29 13:55:47
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lei0736

荣誉版主 (职业作家)
33.Lecture Notes in Physics Volume 501---Advances in Computer Simulation

Book Description
Computer simulation has become a basic tool in many branches of physics such as statistical physics, particle physics, or materials science. The application of efficient algorithms is at least as important as good hardware in large-scale computation. This volume contains didactic lectures on such techniques based on physical insight. The emphasis is on Monte Carlo methods (introduction, cluster algorithms, reweighting and multihistogram techniques, umbrella sampling), efficient data analysis and optimization methods, but aspects of supercomputing, the solution of stochastic differential equations, and molecular dynamics are also discussed. The book addresses graduate students and researchers in theoretical and computational physics.

链接:
http://www.fs2you.com/files/19aaafd7-fd55-11dc-848e-0014221b798a/
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60楼2008-03-29 13:59:36
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lei0736

荣誉版主 (职业作家)
34.Lecture Notes in Physics Volume 642---Computational Materials Science(From Basic Principles to Material Properties )

共 14 章
   
   1. Introduction
  2. The Essentials of Density Functional Theory and the Full-Potential Local-Orbital Approach
  3. Methods for Band Structure Calculations in Solids
  4. A Solid-State Theoretical Approach to the Optical Properties of Photonic Crystals
  5. Simulation of Active and Nonlinear Photonic Nano-Materials in the Finite-Difference Time-Domain (FDTD) Framework
  6. Symmetry Properties of Electronic and Photonic Band Structures
  7. From the Cluster to the Liquid: Ab-Initio Calculations on Realistic Systems Based on First-Principles Molecular Dynamics
  8. Magnetism, Structure and Interactions at the Atomic Scale
  9. Molecular Dynamics Simulations in Biology, Chemistry and Physics
  10. Computational Materials Science with Materials Studio \)R: Applications in Catalysis
  11. Integration of Modelling at Various Length and Time Scales
  12. Simulation of the Material Behavior from the Engineering Point of View – Classical Approaches and New Trends
  13. Parallel Implementation Strategiesfor Algorithms from Scientific
  14. Multi-Grid Methods – An Introduction


链接:
http://www.fs2you.com/files/af9118c0-fd55-11dc-bc2d-0014221f3995/
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61楼2008-03-29 14:04:21
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lei0736

荣誉版主 (职业作家)
35.Lecture Notes in Physics Volume 703---Computer Simulations in Condensed Matter Systems-Vol1

Book Description

This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1 is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. It will enable the graduate student and both the specialist and nonspecialist researcher to get acquainted with the tools necessary to carry out numerical simulations at an advanced level. Volume 2 published as LNP 704 (ISBN 3-540-35283-X) is a collection of state-of-the-art surveys on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology.

G. Ciccotti; K. Binder大家都不陌生

链接:
http://www.fs2you.com/files/74da5c8f-fd56-11dc-8728-0014221b798a/
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62楼2008-03-29 14:09:32
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lei0736

荣誉版主 (职业作家)
36. Lecture Notes in Physics Volume 704---K.Bind--Computer Simulations in Condensed Matter Systems-Vol2

紧接着上一本

This extensive and comprehensive collection of lectures by world-leading experts in the field introduces and reviews all relevant computer simulation methods and their applications in condensed matter systems. Volume 1, published as LNP 703 (ISBN 3-540-35270-8) is an in-depth introduction to a vast spectrum of computational techniques for statistical mechanical systems of condensed matter. It will enable the graduate student and both the specialist and nonspecialist researcher to get acquainted with the tools necessary to carry out numerical simulations at an advanced level. The present volume is a state-of-the-art survey on numerical experiments carried out for a great number of systems, ranging from materials sciences to chemical biology, such as supercooled liquids, spin glasses, colloids, polymers, liquid crystals, biological membranes and folding proteins.


链接:
http://www.fs2you.com/files/743cbade-fd57-11dc-836b-0014221f3995/
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63楼2008-03-29 14:14:40
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lei0736

荣誉版主 (职业作家)
37.Lecture Notes in Physics Volume 739---Computational Many Particle Physics

此系列最后一本 如你们有其他卷请PM我 呵呵

About this book
Complicated many-particle problems abound in nature and in research alike. Plasma physics, statistical physics and condensed matter physics, as primary examples, are all heavily dependent on efficient methods for solving such problems. Addressing graduate students and young researchers, this book presents an overview and introduction to state-of-the-art numerical methods for studying interacting classical and quantum many-particle systems. A broad range of techniques and algorithms are covered, and emphasis is placed on their implementation on modern high-performance computers.

Written for:
Graduate students and young researchers
Keywords:
Density matrix renormalization
High-performance computing
Many-particle problem
Monte Carlo
Numerical methods

链接:
http://www.fs2you.com/files/979e88d4-fd57-11dc-98a5-00142218fc6e/
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64楼2008-03-29 14:19:53
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lei0736

荣誉版主 (职业作家)
上传到50吧 取个整数 呵呵
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65楼2008-03-29 14:20:35
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fah

铁杆木虫 (著名写手)

★★★★★ 五星级,优秀推荐

楼主太厉害了,但是rox用什么打开啊？

[ Last edited by fah on 2008-3-30 at 19:45 ]
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66楼2008-03-30 19:41:52
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house

银虫 (正式写手)
lei0736(金币+0,VIP+0):谢谢 呵呵 这个网站最近推出下载软件搞的名堂吧以前是可以直接打开的 不会改格式 谢谢热心回答
引用回帖:
Originally posted by fah at 2008-3-30 19:41:
楼主太厉害了,但是rox用什么打开啊？

[ Last edited by fah on 2008-3-30 at 19:45 ]

呵呵，帮LZ回答。
只要把这个rox改成文件的实际格式就可以了，比如原来是PDF的，就把后缀由rox改成pdf。如果是压缩文件的，就改成RAR或ZIP。
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67楼2008-03-31 09:56:05
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antediluvian

金虫 (初入文坛)
不得不顶啊，谢谢楼主
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68楼2008-04-01 02:01:05
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sheath

至尊木虫 (知名作家)
lei0736(金币+0,VIP+0):都下载了也不给个评价 不厚道啊
刚才下载至37本，谢谢谢！！！！！
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69楼2008-04-01 09:44:50
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panhuairen

金虫 (小有名气)
强啊，就是强，顶！
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70楼2008-04-01 11:00:47
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quantum999

金虫 (著名写手)
强！
赞一个！！！
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71楼2008-04-01 16:35:01
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abinitio

版主 (著名写手)

★★★★★ 五星级,优秀推荐

lei0736(金币+0,VIP+0):完整的 不会没下载完吧 共429页
10. Molecular hydrodynamics

文件名：
Boon, Yip. Molecular hydrodynamics (Dover, 1991)(T)(ISBN 0486669491)(429s)_PT_.djvu


楼主，这本书只有39页，有全部的吗？
谢谢

－－－－－－－－－－－－－－谢谢楼主，重新下载，3.96M，正常。

[ Last edited by abinitio on 2008-4-4 at 20:35 ]
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72楼2008-04-03 08:17:48
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annalolo


谢谢楼主分享，好强大啊，希望楼主继续上传
You are great!
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73楼2008-04-03 11:51:58
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yjqqliu

银虫 (初入文坛)
楼主好强！
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74楼2008-04-03 17:11:07
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wqz8150


lei0736(金币+0,VIP+0):大文件才需要用他们自带的软件下载 小的直接可以另存为 速度不是很慢
太慢了  不好下
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75楼2008-04-03 17:46:05
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lei0736

荣誉版主 (职业作家)
38. Springer Series in materials science-Vol 93---Materials for Tomorrow：Theory, Experiments and Modelling

      * Publisher:   Springer
    * Number Of Pages:   206
    * Publication Date:   2007-03
    * Sales Rank:  
    * ISBN / ASIN:   3540479708
    * EAN:   9783540479703
    * Binding:   Hardcover
    * Manufacturer:   Springer
    * Studio:   Springer
     Contents
1 Computer Simulations of Undercooled Fluids and Glasses
2 Simulation of Inorganic Nanotubes
3 Spintronics: Transport Phenomena in Magnetic Nanostructures
4 Theoretical Investigation of Interfaces
5 Electronic Structure and Transport for Nanoscale Device Simulation
6 Metallic Nanocrystals and Their Dynamical Properties

——————————————————————————————————————
链接:
http://www.fs2you.com/files/24832687-063d-11dd-b168-0014221f4662/
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76楼2008-04-09 22:04:21
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lei0736

荣誉版主 (职业作家)
39. Monte Carlo Methods in Chemical Physics

In Monte Carlo Methods in Chemical Physics: An Introduction to the Monte Carlo Method for Particle Simulations J. Ilja Siepmann Random Number Generators for Parallel Applications Ashok Srinivasan, David M. Ceperley and Michael Mascagni Between Classical and Quantum Monte Carlo Methods: "Variational" QMC Dario Bressanini and Peter J. Reynolds Monte Carlo Eigenvalue Methods in Quantum Mechanics and Statistical Mechanics M. P. Nightingale and C.J. Umrigar Adaptive Path-Integral Monte Carlo Methods for Accurate Computation of Molecular Thermodynamic Properties Robert Q. Topper Monte Carlo Sampling for Classical Trajectory Simulations Gilles H. Peslherbe Haobin Wang and William L. Hase Monte Carlo Approaches to the Protein Folding Problem Jeffrey Skolnick and Andrzej Kolinski Entropy Sampling Monte Carlo for Polypeptides and Proteins Harold A. Scheraga and Minh-Hong Hao Macrostate Dissection of Thermodynamic Monte Carlo Integrals Bruce W. Church, Alex Ulitsky, and David Shalloway Simulated Annealing-Optimal Histogram Methods David M. Ferguson and David G. Garrett Monte Carlo Methods for Polymeric Systems Juan J. de Pablo and Fernando A. Escobedo Thermodynamic-Scaling Methods in Monte Carlo and Their Application to Phase Equilibria John Valleau Semigrand Canonical Monte Carlo Simulation: Integration Along Coexistence Lines David A. Kofke Monte Carlo Methods for Simulating Phase Equilibria of Complex Fluids J. Ilja Siepmann Reactive Canonical Monte Carlo J. Karl Johnson New Monte Carlo Algorithms for Classical Spin Systems G. T. Barkema and M.E.J. Newman

——————————————————————————————————————
链接：
http://www.fs2you.com/files/fcc35ecf-063f-11dd-861a-0014221f4662/
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77楼2008-04-09 22:29:32
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wjan2


太感谢楼主了，辛苦了
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78楼2008-04-09 22:32:52
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lei0736

荣誉版主 (职业作家)
40. Monte Carlo Methods In Statistical Physics


This book provides a clear, self-contained and authoritative introduction to Monte Carlo simulations in classical statistical physics. It is written both for students who are just beginning work in the field and for more experienced researchers who wish to expand their knowledge of Monte Carlo techniques.

The material covered includes methods for both equilibrium and out-of-equilibrium systems. Common algorithms like the Metropolis and heat-bath algorithms are described in detail, as well as more sophisticated ones such as continuous time Monte Carlo, cluster algorithms, multigrid methods, entropic sampling and simulated tempering. Many example applications are discussed ranging from simple models such as Ising models and spin glasses to real-world problems like molecular beam epitaxy and polymer electrophoresis. Data analysis techniques are also explained, starting with straightforward measurement and error-estimation, and progressing to topics such as the single and multiple histogram methods and finite size scaling. The last few chapters of the book are devoted to implementation issues, including discussions of such topics as lattice representations, efficient implementation of data structures, multispin coding, parallelization of Monte Carlo algorithms, and random number generation. Exercises for the reader are included at the end of each chapter and a number of example programs demonstrating the efficient implementation of Monte Carlo techniques are given at the end of the book.

——————————————————————————————————
链接:
http://www.fs2you.com/files/c7d28411-0641-11dd-8f7f-0014221f3995/
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79楼2008-04-09 22:35:52
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bsbpl

金虫 (正式写手)
lei0736(金币+0,VIP+0):可以下载 我测试了 能打开 只有一点五兆的PDF 上传不会有问题的
感谢楼主！

ps，报个错：
11. Computational chemistry-A Practical Guide for Applying Techniques to RealWorld Problems

这个文件下了两次，都是坏的
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80楼2008-04-10 12:08:41
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bsbpl

金虫 (正式写手)
lei0736(金币+0,VIP+0):这个我也没有研究过 呵呵
太棒了啊，有这么多好书，有些书想看很久了！再次感谢楼主啊！

ps，我有个问题，pdf或者djvu这种格式，如果页面是扫描的普通的16K大小的书，我想打印到A4的纸，怎么把两页16K的电子书拼成一页打印啊？

谢谢！
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81楼2008-04-10 12:30:56
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yzhhlq_1983

木虫 (正式写手)

★★★★★ 五星级,优秀推荐

这么多书真的很难得
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82楼2008-04-10 15:44:10
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jerryking

木虫 (正式写手)

★★★★★ 五星级,优秀推荐

感谢楼主。。。。
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83楼2008-04-10 15:49:34
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hazys

铁杆木虫 (著名写手)

★★★★★ 五星级,优秀推荐

楼主太强了。好人啊！
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84楼2008-04-10 16:47:24
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yhjiangshiyu

木虫 (正式写手)
再次表示感谢
    是不是因为前面评价了后面就不能再评价，，还是顶一下
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85楼2008-04-10 17:03:49
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lei0736

荣誉版主 (职业作家)
41. Monte Carlo Methods

Author(s): Malvin H. Kalos, Paula A. Whitlock

Product Information

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About The Product
This introduction to Monte Carlo Methods seeks to identify and study the unifying elements that underlie their effective application. It focuses on two basic themes. The first is the importance of random walks as they occur both in natural stochastic systems and in their relationship to integral and differential equations. The second theme is that of variance reduction in general and importance sampling in particular as a technique for efficient use of the methods. Random walks are introduced with an elementary example in which the modelling of radiation transport arises directly from a schematic probabilistic description of the interaction of radiation with matter. Building on that example, the relationship between random walks and integral equations is outlined. The applicability of these ideas to other problems is shown by a clear and elementary introduction to the solution of the Schrodinger equation by random walks.
The detailed discussion of variance reduction includes Monte Carlo evaluation of finite-dimensional integrals. Special attention is given to importance sampling, partly because of its intrinsic interest in quadrature, partly because of its general usefulness in the solution of integral equations. One significant feature is that Monte Carlo Methods treats the ?Metropolis algorithm? in the context of sampling methods, clearly distinguishing it from importance sampling.

Physicists, chemists, statisticians, mathematicians, and computer scientists will find Monte Carlo Methods a complete and stimulating introduction.


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86楼2008-04-15 09:51:20
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lei0736

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42. Monte Carlo  Concepts, Algorithms, and Applications

This is the authoritative text on the Monte Carlo method. Fishman covers the standard topics of integral estimation, variance reduction and random number generation. He also includes extensive material on simulating stochastic processes. The treatment is very formal and meticulously detailed. Numerous algorithms are presented, and references are cited extensively. The book is not an easy read. You should read Rubinstein (1981) before attempting Fishman. The book is unsurpassed as a reference

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87楼2008-04-15 10:04:30
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lei0736

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43. Multiscale Materials Modelling

Edited by Z Xiao Guo, Queen Mary University of London, UK
- reviews the principles and applications of mult-scale materials modelling
- covers themes such as dislocation behaviour and plasticity and the modelling of structural materials
- examines the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling
- written by an international team of contributors

Multiscale materials modelling offers an integrated approach to modelling material behaviour across a range of scales from the electronic, atomic and microstructural up to the component level. As a result, it provides valuable new insights into complex structures and their properties, opening the way to develop new, multi-functional materials together with improved process and product designs. Multiscale materials modelling summarises some of the key techniques and their applications.

The various chapters cover the spectrum of scales in modelling methodologies, including electronic structure calculations, mesoscale and continuum modelling. The book covers such themes as dislocation behaviour and plasticity as well as the modelling of structural materials such as metals, polymers and ceramics. With its distinguished editor and international team of contributors, Multiscale materials modelling will be a valuable reference for both the modelling community and those in industry wanting to know more about how multiscale materials modelling can help optimise product and process design.


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88楼2008-04-15 10:07:39
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lei0736

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44. Nanomechanics of Materials and Structures

Description
This volume provides a critical assessment of the current state-of-the-art in nanomechanics, with particular application to mechanical properties and structural integrity associated with MEMS, NEMS, nanomanufacturing, microelectronics, nanotechnology, biotechnology, and microsystems. It contains articles by leading international experts in these fields. A special workshop summary identifies major gaps in present knowledge, barriers to applications, and critical research areas for rapid development of enabling technologies.
This book is an excellent reference book for both academic and industrial researchers working in the fields of nanotechnology, biotechnology, engineering, nanotribology and mechanics, materials science and engineering, computer science, and information technology. It will also be of interest to those pursuing research in NEMS, MEMS, mesomanufacturing, sensors, actuators, controllers, micromotors, and other microsystems in aerospace, defense, and military systems.


Summary
Nano Mechanics/Materials Research. An ab-initio study of mechanical behavior for (MO) Nanorods. Phase Field Modeling of Solidification and Melting of a Confined Nanoparticle. Friction-Induced Nucleation of Nanocrystals. Modeling of Carbon Nanotubes and Their Composites. On the Tensile Strength of a Solid Nanowire. Fracture Nucleation in Single-Wall Carbon Nanotubes. Multiscale Modeling of a Germanium Quantum Dot in Silicon. Nanomechanics of Biological Single Crystals. Nano/Micro Fluidic Systems: Design, Characterization, and Biomedical Applications. Mechanical Characterization of a Single Nanofiber: Experimental Techniques. Atomistic studies of Flaw Tolerant Nanoscale Structural Links in Biological Materials: Nature's principle of material design. Towards the Integration of Nano/Micro Devices Using MEMS Technology. Atomic Scale Mechanisms of Stress Production in Elastomers. Dynamic Indentation of Polymers Using the Atomic Force Microscope. Fabrication and Simulation of Nanostructures on Silicon by Laser Assisted Direct Imprint Technique. Structure and Stress Evolution due to Medium Energy Ion Bombardment of Silicon. Mechanics of Nanostructures. Residual Stresses in Nano-Film/Substrate Systems. Nanomechanics of Crack Front Mobility. Finite Temperature Coupled Atomistic/Continuum Discrete Dislocation Dynamics Simulation of Nanoindentation. Static Atomistic Simulations of Nanoindentation and Determination of Nanohardness. Electric Field-Directed Patterning of Molecules on a Solid Surface. Dynamics of Dislocations in Thin Colloidal Crystals. Mesoscopic Length Scales for Deformed Nanostructures. Rough Surface Plasticity and Adhesion across Length Scales. Modeling the Effect of Texture on the Deformation Mechanisms of Nanocrystalline Materials at the Atomistic Scale. Modeling the Tribochemical Aspects of Friction and Gradual Wear of DEC Films.


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89楼2008-04-15 10:11:13
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lei0736

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45. Numerical Simulation in Molecular Dynamics：Numerics, Algorithms, Parallelization, Applications
Series: Texts in Computational Science and Engineering , Vol. 5

作者之一 Nieminen 是大牛
About this textbook
Particle models play an important role in many applications in physics, chemistry and biology. These can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates such aspects as modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text goes on to offer detailed explanations of the different steps of numerical simulation, providing illustrative code examples. With the description of the algorithms and the presentation of the results of various simulations from fields such as material science, nanotechnology, biochemistry and astrophysics, the reader of this book will learn step by step how to write programs capable of running successful experiments for molecular dynamics.

Written for:
Graduate students and researchers in computational science, biosciences, chemistry, engineering, physics and pharmacology

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90楼2008-04-15 10:16:57
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lei0736

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自己顶一下 免得沉了
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91楼2008-04-16 08:47:45
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sheath

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呵呵，我来继续支持楼主发精品！
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92楼2008-04-16 10:55:20
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dellus

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再顶下吧
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93楼2008-04-19 20:18:42
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ilovexiaomucun

新虫 (初入文坛)
42. Monte Carlo  Concepts, Algorithms, and Applications

lei0736, Is this a pdf file or something else? I can't open it.
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94楼2008-04-20 03:59:07
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ilovexiaomucun

新虫 (初入文坛)
lei0736(金币+0,VIP+0):可能文件较大 你用他提供的工具下载的吧 后缀改为PDF应该就可以打开了
42. Monte Carlo  Concepts, Algorithms, and Applications

lei0736, Is this a pdf file or something else? I can't open it.
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95楼2008-04-20 04:00:38
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ryhzd

木虫 (正式写手)

★★★★★ 五星级,优秀推荐

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96楼2008-04-20 19:54:04
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liu_fufeng

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谢谢搂主的慷慨奉送！真是太感谢了！顶！
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97楼2008-04-20 21:09:57
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Quan.

金虫 (文坛精英)
【评价】★★★★★ (五星级,优秀推荐)

谢谢搂主的慷慨奉献！
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98楼2008-04-21 22:33:46
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hbinjm

木虫 (著名写手)
钦佩楼主的奉献精神！！！
给大家节约了好多查找文献的时间！
再一次感激！
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99楼2008-04-22 02:46:35
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Hellen210.46

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致谢

非常十分极其以及特别地感谢LZ，好运常伴
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100楼2008-04-22 09:16:47
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