Numerical Simulation in Molecular Dynamics: Numerics, Algorithms, Parallelization, Applications - Couverture souple

Griebel, Michael; Knapek, Stephan; Zumbusch, Gerhard

Couverture souple

ISBN 10 : 3642087760 ISBN 13 : 9783642087769

Editeur : Springer, 2010

Synopsis

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.

A propos du livre

À propos de l'auteur

Michael Griebel received his education at the Technical University of Munich, Germany. He is a professor at the Institute for Numerical Simulation at the University of Bonn, Germany, where he holds the Chair of Scientific Computing and Numerical Simulation. Additionally, he is the director of Fraunhofer SCAI (Institute for Algorithms and Scientific Computing), Sankt Augustin, Germany. His research interests include numerical simulation, scientific computing, machine learning, and high-dimensional approximation. Since 2002, he has served as the Editor-in-Chief of the Springer journal Numerische Mathematik. Peter Oswald received his education at Odessa State University and Moscow State University. He has held research, teaching, and professorship positions at various institutions, including TU Dresden, FSU Jena, Kuwait University, Texas A&M University, Bell Laboratories, Jacobs University Bremen, and the University of Bonn. His research interests include approximation theory, function spaces, and numerical analysis.

À propos de la quatrième de couverture

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.

Détails de l'édition

• Éditeur: Springer
• Date d'édition: 2010
• Langue: anglais
• ISBN 10: 3642087760
• ISBN 13: 9783642087769
• Reliure: Broché
• Numéro d'édition: 1
• Nombre de pages: 488
• Coordonnées du fabricant: non disponible
• Personne responsable: non disponible