Numerical Simulation in Molecular Dynamics - Numerics, Algorithms, Parallelization, Applications

von: Michael Griebel, Stephan Knapek, Gerhard Zumbusch

Springer-Verlag, 2010

ISBN: 9783540680956 , 476 Seiten

Format: PDF

Kopierschutz: Wasserzeichen

Windows PC,Mac OSX geeignet für alle DRM-fähigen eReader Apple iPad, Android Tablet PC's

Preis: 41,64 EUR

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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 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 how to write programs capable of running successful experiments for molecular dynamics.