| 书目名称 | Numerical Simulation in Molecular Dynamics | | 副标题 | Numerics, Algorithms | | 编辑 | Michael Griebel,Gerhard Zumbusch,Stephan Knapek | | 视频video | | | 概述 | One of the first textbooks in the highly-relevant topic (material science, molecular modelling, drug design, nanotechnology).Includes supplementary material: | | 丛书名称 | Texts in Computational Science and Engineering | | 图书封面 |  | | 描述 | .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.. | | 出版日期 | Textbook 2007 | | 关键词 | algorithm; algorithms; computer; linear optimization; modeling; molecular dynamics; numerical methods; nume | | 版次 | 1 | | doi | https://doi.org/10.1007/978-3-540-68095-6 | | isbn_softcover | 978-3-642-08776-9 | | isbn_ebook | 978-3-540-68095-6Series ISSN 1611-0994 Series E-ISSN 2197-179X | | issn_series | 1611-0994 | | copyright | Springer-Verlag Berlin Heidelberg 2007 |
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发表于 2025-3-21 17:30:24
