Splitting for dissipative particle dynamics

Shardlow, Tony (2003) Splitting for dissipative particle dynamics. SIAM Journal on Scientific Computing, 24 (4). pp. 1267-1282. ISSN 1095-7197

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Official URL: http://epubs.siam.org/SISC/volume-24/art_39287.htm...


We study numerical methods for dissipative particle dynamics, a system of stochastic differential equations for simulating particles interacting pairwise according to a soft potential at constant temperature where the total momentum is conserved. We introduce splitting methods and examine the behavior of these methods experimentally. The performance of the methods, particularly temperature control, is compared to the modified velocity Verlet method used in many previous papers.

Item Type: Article
Uncontrolled Keywords: stochastic differential equations, numerical methods, molecular dynamics
Subjects: MSC 2010, the AMS's Mathematics Subject Classification > 60 Probability theory and stochastic processes
MSC 2010, the AMS's Mathematics Subject Classification > 82 Statistical mechanics, structure of matter
Depositing User: Ms Lucy van Russelt
Date Deposited: 09 Aug 2006
Last Modified: 20 Oct 2017 14:12
URI: http://eprints.maths.manchester.ac.uk/id/eprint/460

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