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Book synopsis

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.

Book details

Book category Books in English Mathematics & science Chemistry Physical chemistry

• Full title: Numerical Simulation in Molecular Dynamics
• Subtitle: Numerics, Algorithms, Parallelization, Applications
• Author: Michael Griebel, Stephan Knapek, Gerhard Zumbusch
• Language: English
• Binding: Hardback
• Number of pages: 476
• EAN: 9783540680949
• ISBN: 3540680942
• ID: 01567631
• Publisher: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
• Weight: 784 g
• Dimensions: 164 × 244 × 31 mm
• Date of publishing: 09. August 2007

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