Paula A. Vasquez, University of North Carolina at Chapel Hill


Time-Parallel Continuum-Kinetic-Molecular Simulation of MML Model

Abstract: A parallel-in-time, multiscale interaction procedure is introduced for systems described, at molecular scales, by time-dependent random variables that obey Langevin dynamics. At larger, kinetic scales, the system is described by a probability distribution function that obeys an associated Fokker-Planck equation. At even larger scales, a continuum formulation, resulting from conservation laws, is valid. It is assumed that the main quantity of interest is at the continuum scale, and that there is separation of time scales between the molecular, kinetic and continuum descriptions. Int his talk, we present the implementation of the non-linear molecular model of Milner, McLeish and Likthman.

Collaborator: Sorin Mitran (University of North Carolina at Chapel Hill)