Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications: 5 - Rilegato

Griebel, Michael; Knapek, Stephan; Zumbusch, Gerhard

Rilegato

ISBN 10: 3540680942 ISBN 13: 9783540680949

Casa editrice: Springer Nature, 2007

Riassunto

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.

Su questo libro

Informazioni sull'autore

Prof. Dr. Hans-Joachim Bungartz ist Professor für Informatik (Simulation großer Systeme) an der Universität Stuttgart. Prof. Dr. Michael Griebel hat eine Professur für Wissenschaftliches Rechnen am Institut für Angewandte Mathematik der Universität Bonn. Prof. Dr. Christoph Zenger ist Professor für Ingenieuranwendungen in der Informatik und numerische Programmierung am Institut für Informatik der TU München.

Dalla quarta di copertina

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 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.

Dettagli dell'edizione

• Editore: Springer Nature
• Data di pubblicazione: 2007
• Lingua: Inglese
• ISBN 10: 3540680942
• ISBN 13: 9783540680949
• Rilegatura: Copertina rigida
• Numero di pagine: 476
• Contatto del produttore: Springer Nature Customer Service Center GmbH; ProductSafety@springernature.com; ; Europaplatz 3; Heidelberg; 69115; Germania