Numerical Simulation in Molecular Dynamics

Zumbusch Gerhard Knapek Stephan Griebel Michael

ISBN 10: 3540680942 / ISBN 13: 9783540680949

Edité par Springer, 2007

A propos de cet article

Print on Demand pp. xii + 476 Illus.

N° de réf. du vendeur 7592671

Détails bibliographiques

• Titre: Numerical Simulation in Molecular Dynamics
• Éditeur: Springer
• Date de parution: 2007
• Langue: anglais
• ISBN à 10 chiffres: 3540680942
• ISBN à 13 chiffres: 9783540680949
• Reliure: Couverture rigide
• 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.