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Numerical Simulation in Molecular Dynamics

Numerics, Algorithms, Parallelization, Applications

Language EnglishEnglish
Book Hardback
Book Numerical Simulation in Molecular Dynamics Michael Griebel
Libristo code: 01567631
Publishers Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, August 2007
This book details the necessary numerical methods, the theoretical background and foundations and th... Full description
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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.

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About the book

Full name Numerical Simulation in Molecular Dynamics
Author Michael Griebel, Stephan Knapek, Gerhard Zumbusch
Language English
Binding Book - Hardback
Date of issue 2007
Number of pages 476
EAN 9783540680949
ISBN 3540680942
Libristo code 01567631
Publishers Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
Weight 784
Dimensions 244 x 164 x 31

Categories

Mathematics & Science > Mathematics > Calculus & mathematical analysis > Numerical analysis
Mathematics & Science > Mathematics > Applied mathematics
Mathematics & Science > Science: general issues > Maths for scientists
Mathematics & Science > Physics > Mathematical physics
Mathematics & Science > Chemistry > Physical chemistry
Computing & Information Technology > Graphical & digital media applications > 3D graphics & modelling
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