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

Numerical Simulation in Molecular Dynamics Numerics Algorithms Parallelization Applications - Texts in Computational Science and Engineering
Author: Michael Griebel, Stephan Knapek, Gerhard Zumbusch

Particle models play an important role in many applications in physics, chemistry and biology. They can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail both the necessary numerical methods and techniques (linked-cell method, SPME-method, tree codes, multipole technique) and the theoretical...  more » background and foundations. It illustrates the aspects modelling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. Furthermore, detailed explanations are given to the different steps of numerical simulation, and code examples are provided. With the description of the algorithms and the presentation of the results of various simulations from the areas material science, nanotechnology, biochemistry and astrophysics, the reader of this book will be able to write his own programs for molecular dynamics step by step and to run successful experiments.  « less

Post This Book

Login | Register

ISBN-13: 9783540680949
ISBN-10: 3540680942
Publication Date: 9/14/2007
Pages: 476
Edition: 1
Rating:

  ?

0 stars, based on 0 rating

Publisher: Springer
Book Type: Hardcover
Other Versions: Paperback
Members Wishing: 0
Reviews: Amazon | Write a Review

• Computers & Technology >> Programming >> Algorithms >> General
• Science & Math >> Chemistry >> General & Reference
• Science & Math >> General
• Science & Math >> Mathematics >> General
• Science & Math >> Mathematics >> Number Systems
• Science & Math >> Mathematics >> Applied >> General
• Engineering & Transportation >> Professional Science >> Chemistry >> General & Reference
• Engineering & Transportation >> Professional Science >> Mathematics >> Applied >> General
• Engineering & Transportation >> Professional Science >> Mathematics >> Mathematical Analysis
• Engineering & Transportation >> Professional Science >> Mathematics >> Number Systems