Numerical Simulation in Molecular Dynamics (Paperback)

Stephan Knapek

ISBN 10: 3642087760 / ISBN 13: 9783642087769

Edité par Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, Berlin, 2010

A propos de cet article

Paperback. 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. 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. Shipping may be from our Sydney, NSW warehouse or from our UK or US warehouse, depending on stock availability.

N° de réf. du vendeur 9783642087769

Détails bibliographiques

• Titre: Numerical Simulation in Molecular Dynamics (Paperback)
• Éditeur: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, Berlin
• Date de parution: 2010
• Langue: anglais
• ISBN à 10 chiffres: 3642087760
• ISBN à 13 chiffres: 9783642087769
• Reliure: Paperback
• Édition: Edition originale
• État de l'article: new

A propos de ce titre

Synopsis

Particle models play an important role in many applications in physics, chemistry and biology. These can be studied on the computer with the help of molecular dynamics simulations. This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved, including linked-cell method, SPME-method, tree codes, amd multipol technique. It illustrates such aspects as modeling, discretization, algorithms and their parallel implementation with MPI on computer systems with distributed memory. The text goes on to offer detailed explanations of the different steps 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 step by step how to write programs capable of running successful experiments for molecular dynamics.

Présentation de l'éditeur

This book presents in detail the necessary numerical methods, the theoretical background and foundations and the techniques involved in creating particle models, including linked-cell method, SPME-method, tree codes, amd multipol technique.