Time Integrators for Molecular Dynamics

Time Integrators for Molecular Dynamics

This paper invites the reader to learn more about time integrators for Molecular Dynamics simulation through a simple MATLAB implementation. An overview of methods is provided from an algorithmic viewpoint that emphasizes long-time stability and finite-time dynamic accuracy. The given software simul...

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Bibliographic Details
Main Author: Nawaf Bou-Rabee
Format: Article
Language:English
Published: MDPI AG 2013-12-01
Series:Entropy
Subjects:
explicit integrators
Metropolis algorithm
ergodicity
weak accuracy
Online Access:http://www.mdpi.com/1099-4300/16/1/138

Internet

http://www.mdpi.com/1099-4300/16/1/138

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