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jackiemwd

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[资源] [转贴］Numerical Simulation in Molecular Dynamics－2007.8出版［已搜索无重复］

Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications (Texts in Computational Science and Engineering)

By Michael Griebel, Stephan Knapek, Gerhard Zumbusch

Publisher: Springer
Number Of Pages: 476
Publication Date: 2007-08
Sales Rank: 2233981
ISBN / ASIN: 3540680942
EAN: 9783540680949
Binding: Hardcover
Manufacturer: Springer
Studio: Springer

Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the necessary numerical methods and techniques (linked-cell method, SPME-method, tree codes, multipole technique) and the theoretical background and foundations. It illustrates the aspects modelling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. Furthermore, detailed explanations are given to the different steps of numerical simulation, and code examples are provided. With the description of the algorithms and the presentation of the results of various simulations from the areas material science, nanotechnology, biochemistry and astrophysics, the reader of this book will be able to write his own programs for molecular dynamics step by step and to run successful experiments.
http://rapidshare.com/files/51534900/Numerical_Simulation_in_Molecular_Dynamics_3540680942.rar

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