Splitting for dissipative particle dynamics

Tony Shardlow

doi:10.1137/S1064827501392879

Splitting for dissipative particle dynamics

Tony Shardlow

Research output: Contribution to journal › Article › peer-review

Abstract

We study numerical methods for dissipative particle dynamics, a system of stochastic differential equations for simulating particles interacting particles 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.

Original language	English
Pages (from-to)	1267-1282
Number of pages	15
Journal	SIAM Journal on Scientific Computing
Volume	24
Issue number	4
DOIs	https://doi.org/10.1137/S1064827501392879
Publication status	Published - Jan 2003

Keywords

Molecular dynamics
Numerical methods
Stochastic differential equations

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10.1137/S1064827501392879

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title = "Splitting for dissipative particle dynamics",

abstract = "We study numerical methods for dissipative particle dynamics, a system of stochastic differential equations for simulating particles interacting particles 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.",

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author = "Tony Shardlow",

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AB - We study numerical methods for dissipative particle dynamics, a system of stochastic differential equations for simulating particles interacting particles 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.

KW - Molecular dynamics

KW - Numerical methods

KW - Stochastic differential equations

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DO - 10.1137/S1064827501392879

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SP - 1267

EP - 1282

JO - SIAM Journal on Scientific Computing

JF - SIAM Journal on Scientific Computing

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Splitting for dissipative particle dynamics

Abstract

Keywords

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