A stochastic Trotter integration scheme for dissipative particle dynamics

by: M Serrano, G De Fabritiis, P Español, PV Coveney

Mathematics and Computers in Simulation, Vol. 72, No. 2-6. (9 September 2006), pp. 190-194.

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Abstract

In this article we show in detail the derivation of an integration scheme for the dissipative particle dynamic model (DPD) using the stochastic Trotter formula [G. De Fabritiis, M. Serrano, P. Español, P.V. Coveney, Phys. A 361 (2006) 429]. We explain some subtleties due to the stochastic character of the equations and exploit analyticity in some interesting parts of the dynamics. The DPD-Trotter integrator demonstrates the inexistence of spurious spatial correlations in the radial distribution function for an ideal gas equation of state. We also compare our numerical integrator to other available DPD integration schemes.

@article{citeulike:2938286, abstract = {In this article we show in detail the derivation of an integration scheme for the dissipative particle dynamic model (DPD) using the stochastic Trotter formula [G. De Fabritiis, M. Serrano, P. Espa\~{n}ol, P.V. Coveney, Phys. A 361 (2006) 429]. We explain some subtleties due to the stochastic character of the equations and exploit analyticity in some interesting parts of the dynamics. The DPD-Trotter integrator demonstrates the inexistence of spurious spatial correlations in the radial distribution function for an ideal gas equation of state. We also compare our numerical integrator to other available DPD integration schemes.}, author = {Serrano, M. and De Fabritiis, G. and Espa\~{n}ol, P. and Coveney, P. V. }, booktitle = {Discrete Simulation of Fluid Dynamics in Complex Systems}, citeulike-article-id = {2938286}, doi = {http://dx.doi.org/10.1016/j.matcom.2006.05.019}, journal = {Mathematics and Computers in Simulation}, keywords = {dpd}, month = {September}, number = {2-6}, pages = {190--194}, posted-at = {2008-06-27 21:54:16}, priority = {2}, title = {A stochastic Trotter integration scheme for dissipative particle dynamics}, url = {http://dx.doi.org/10.1016/j.matcom.2006.05.019}, volume = {72}, year = {2006} }

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TY - JOUR ID - citeulike:2938286 L3 - citeulike-article-id:2938286 TI - A stochastic Trotter integration scheme for dissipative particle dynamics T2 - Discrete Simulation of Fluid Dynamics in Complex Systems JF - Mathematics and Computers in Simulation VL - 72 IS - 2-6 SP - 190 EP - 194 N2 - In this article we show in detail the derivation of an integration scheme for the dissipative particle dynamic model (DPD) using the stochastic Trotter formula [G. De Fabritiis, M. Serrano, P. Español, P.V. Coveney, Phys. A 361 (2006) 429]. We explain some subtleties due to the stochastic character of the equations and exploit analyticity in some interesting parts of the dynamics. The DPD-Trotter integrator demonstrates the inexistence of spurious spatial correlations in the radial distribution function for an ideal gas equation of state. We also compare our numerical integrator to other available DPD integration schemes. KW - dpd AU - Serrano, M AU - De Fabritiis, G AU - Español, P AU - Coveney, PV PY - 2006/09/09/ UR - http://dx.doi.org/10.1016/j.matcom.2006.05.019 ER -

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