New parallelizable schemes for integrating the Dissipative Particle Dynamics with Energy conservation

  • Ahmed Amine Homman
  • , Jean Bernard Maillet
  • , Julien Roussel
  • , Gabriel Stoltz

Research output: Contribution to journalArticlepeer-review

Abstract

This work presents new parallelizable numerical schemes for the integration of dissipative particle dynamics with energy conservation. So far, no numerical scheme introduced in the literature is able to correctly preserve the energy over long times and give rise to small errors on average properties for moderately small time steps, while being straightforwardly parallelizable. We present in this article two new methods, both straightforwardly parallelizable, allowing to correctly preserve the total energy of the system. We illustrate the accuracy and performance of these new schemes both on equilibrium and nonequilibrium parallel simulations.

Original languageEnglish
Article number024112
JournalJournal of Chemical Physics
Volume144
Issue number2
DOIs
Publication statusPublished - 14 Jan 2016

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