The Leading eBooks Store Online 4,410,490 members ⚫ 1,532,108 ebooks

New to eBooks.com?

Learn more

Molecular Dynamics

With Deterministic and Stochastic Numerical Methods

Molecular Dynamics by Ben Leimkuhler
Buy this eBook
US$ 79.99
(If any tax is payable it will be calculated and shown at checkout.)

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. 

Springer International Publishing; May 2015
461 pages; ISBN 9783319163758
Read online, or download in secure PDF format
Title: Molecular Dynamics
Author: Ben Leimkuhler; Charles Matthews
 
  • News
  • Contents
No entry found
Subject categories
ISBNs
9783319163741
9783319163758