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

Michael Griebel, Stephan Knapek, Gerhard Zumbusch




[PDF.pd37] Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications (Texts in Computational Science and Engineering)

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 | #6211327 in Books |  Griebel Michael Knapek Stephan Zumbusch Gerhard |  2010-11-29 | Original language:English | PDF # 1 |  9.00 x1.15 x6.00l,1.50 | File type: PDF | 476 pages

 | Numerical Simulation in Molecular Dynamics Numerics Algorithms Parallelization Applications

|

This book details the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating computer particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text offers step-by-step explanations of numerical simulation, providing illustrative cod...

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