Numerical Simulation in Molecular Dynamics

Griebel, Michael A.; Knapek, Stephan; Zumbusch, Gerhard

ISBN 10: 3642087760 / ISBN 13: 9783642087769

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

A propos de cet article

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. Series: Texts in Computational Science and Engineering. Num Pages: 488 pages, 137 black & white illustrations, 43 colour illustrations, 63 black & white tables, biogra. BIC Classification: PNR; UGK. Category: (P) Professional & Vocational. Dimension: 234 x 156 x 25. Weight in Grams: 741. . 2010. 1st ed. Softcover of orig. ed. 2007. Paperback. . . . .

N° de réf. du vendeur V9783642087769

Détails bibliographiques

• Titre: Numerical Simulation in Molecular Dynamics
• Éditeur: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG
• Date de parution: 2010
• Langue: anglais
• ISBN à 10 chiffres: 3642087760
• ISBN à 13 chiffres: 9783642087769
• Reliure: Couverture souple
• 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.