Numerical Simulation in Molecular Dynamics

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  • Numerical Simulation in Molecular Dynamics Book Detail

  • Author : Michael Griebel
  • Release Date : 2007-08-16
  • Publisher : Springer Science & Business Media
  • Genre : Science
  • Pages : 472
  • ISBN 13 : 3540680950
  • File Size : 64,64 MB

Numerical Simulation in Molecular Dynamics by Michael Griebel PDF Summary

Book Description: 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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Numerical Simulation in Molecular Dynamics

Numerical Simulation in Molecular Dynamics

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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,

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Numerical Simulation in Fluid Dynamics

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In this translation of the German edition, the authors provide insight into the numerical simulation of fluid flow. Using a simple numerical method as an exposi

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In the recent decade, there has been a growing interest in the numerical treatment of high-dimensional problems. It is well known that classical numerical discr