Buch, Englisch, Band 5, 476 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 898 g
Numerics, Algorithms, Parallelization, Applications
Buch, Englisch, Band 5, 476 Seiten, Format (B × H): 160 mm x 241 mm, Gewicht: 898 g
Reihe: Texts in Computational Science and Engineering
ISBN: 978-3-540-68094-9
Verlag: Springer Berlin Heidelberg
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.
Zielgruppe
Research
Autoren/Hrsg.
Fachgebiete
- Technische Wissenschaften Technik Allgemein Mathematik für Ingenieure
- Naturwissenschaften Physik Angewandte Physik Chemische Physik
- Mathematik | Informatik Mathematik Numerik und Wissenschaftliches Rechnen Angewandte Mathematik, Mathematische Modelle
- Mathematik | Informatik Mathematik Numerik und Wissenschaftliches Rechnen Computeranwendungen in der Mathematik
- Naturwissenschaften Chemie Physikalische Chemie
- Naturwissenschaften Physik Angewandte Physik Biophysik
- Technische Wissenschaften Technik Allgemein Modellierung & Simulation
- Naturwissenschaften Physik Quantenphysik Atom- und Molekülphysik
- Naturwissenschaften Biowissenschaften Angewandte Biologie Biophysik
- Naturwissenschaften Physik Physik Allgemein Theoretische Physik, Mathematische Physik, Computerphysik
Weitere Infos & Material
Computer Simulation — a Key Technology.- From the Schrödinger Equation to Molecular Dynamics.- The Linked Cell Method for Short-Range Potentials.- Parallelization.- Extensions to More Complex Potentials and Molecules.- Time Integration Methods.- Mesh-Based Methods for Long-Range Potentials.- Tree Algorithms for Long-Range Potentials.- Applications from Biochemistry and Biophysics.- Prospects.
