Molecular Dynamics

With Deterministic and Stochastic Numerical Methods

Автор: Ben Leimkuhler

Език:

Корици: С меки корици

Издател: Springer International Publishing AG

Наличност: Външен склад

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79.16 € 154.83 лв

This book describes the mathematical underpinnings of algorithms used for molecular dynamics simulat...

Информация за книгата

Автор

Ben Leimkuhler

Език

Английски език

Корици

Книга - С меки корици

Издадена

2016

страници

443

EAN

9783319353241

ISBN

3319353241

Enbook ID

15193373

Издател

Springer International Publishing AG

Теглоt

7022

Размери

155 x 235 x 22

Пълно описание

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.

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Molecular Dynamics

With Deterministic and Stochastic Numerical Methods

Информация за книгата

Пълно описание

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Клиенти, които купиха тази книга, купиха също