| 书目名称 | Molecular Dynamics | | 副标题 | With Deterministic a | | 编辑 | Ben Leimkuhler,Charles Matthews | | 视频video | | | 概述 | Describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods.Provides precise statements regarding diffe | | 丛书名称 | Interdisciplinary Applied Mathematics | | 图书封面 |  | | 描述 | .This book describes the mathematical underpinnings of algorithms used for molecular dynamics simulation, including both deterministic and stochastic numerical methods. Molecular dynamics is one of the most versatile and powerful methods of modern computational science and engineering and is used widely in chemistry, physics, materials science and biology. Understanding the foundations of numerical methods means knowing how to select the best one for a given problem (from the wide range of techniques on offer) and how to create new, efficient methods to address particular challenges as they arise in complex applications. .Aimed at a broad audience, this book presents the basic theory of Hamiltonian mechanics and stochastic differential equations, as well as topics including symplectic numerical methods, the handling of constraints and rigid bodies, the efficient treatment of Langevin dynamics, thermostats to control the molecular ensemble, multiple time-stepping,and the dissipative particle dynamics method. . | | 出版日期 | Textbook 2015 | | 关键词 | 65C20,65P10,65Z05,82C31,82C05,82B80; biomolecular simulation; computational physics; materials modellin | | 版次 | 1 | | doi | https://doi.org/10.1007/978-3-319-16375-8 | | isbn_softcover | 978-3-319-35324-1 | | isbn_ebook | 978-3-319-16375-8Series ISSN 0939-6047 Series E-ISSN 2196-9973 | | issn_series | 0939-6047 | | copyright | Springer International Publishing Switzerland 2015 |
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发表于 2025-3-21 16:49:29
