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2006.261: Splitting for dissipative particle dynamics

2006.261: Tony Shardlow (2003) Splitting for dissipative particle dynamics. SIAM Journal on Scientific Computing, 24 (4). pp. 1267-1282. ISSN 1095-7197

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DOI: 10.1137/S1064827501392879

Abstract

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 2000 > 60 Probability theory and stochastic processes
MSC 2000 > 82 Statistical mechanics, structure of matter
MIMS number:2006.261
Deposited By:Miss Louise Stait
Deposited On:09 August 2006

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