Development of new numerical integration schemes for multiscale coarse-graining methods (Ahmed-Amine Homman, CERMICS/ENPC)

19.04.2016 14:15

My presentation will be about the analysis and development of new numerical schemes for the integration of the Dissipative Particle Dynamics (DPD), more precisely its energy-conserving variant termed DPDE. The DPDE model is a multiscale model, built from Molecular Dynamics, allowing for the simulation of complex physical systems involving phenomena with very different length and time scales. After having presented this model, which writes as a Stochastic Differential Equation (SDE), I will set up the bases of Molecular Dynamics and of the numerical integration of SDEs. I will then present several existing DPD integration schemes as well as two new ones and prove their consistency. I will finally perform a comparative study of their results on equilibrium and non-equilibrium systems, showing that the two new schemes bring a clear improvement in the quality of the DPDE numerical integration compared to existing schemes.

Lieu

salle 623, Séminaire d'analyse numérique

entrée libre

Fichiers joints

abstract_Homman.pdf

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