Molecular Dynamics - With Deterministic and Stochastic Numerical Methods (Hardcover, 1st ed. 2015)

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.

General

Imprint:	Springer International Publishing AG
Country of origin:	Switzerland
Series:	Interdisciplinary Applied Mathematics, 39
Release date:	June 2015
First published:	2015
Authors:	Ben Leimkuhler • Charles Matthews
Dimensions:	235 x 155 x 31mm (L x W x T)
Format:	Hardcover
Pages:	443
Edition:	1st ed. 2015
ISBN-13:	978-3-319-16374-1
Categories:	Books > Science & Mathematics > Mathematics > Numerical analysis Books > Science & Mathematics > Mathematics > Applied mathematics > Mathematics for scientists & engineers Books > Science & Mathematics > Mathematics > Applied mathematics > Mathematical modelling Promotions
LSN:	3-319-16374-4
Barcode:	9783319163741

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