Title: Fluctuating Hydrodynamics Thermostats for Dynamic Implicit-Solvent Coarse-Grained Simulations
Presenter: Paul Atzberger
Affiliation: UC Santa Barbara
Abstract: Many coarse-grained models have been developed for efficient equilibrium studies by treating implicitly interactions mediated by the solvent. However, for problems involving dynamics, such CG studies require accounting for the momentum transfer through the missing solvent degrees of freedom. We introduce new thermostats for such CG models and computational methods based on fluctuating hydrodynamics. We show our momentum conserving approach yields results significantly different than conventional Langevin dynamics. We then present a number of simulation results for lipid bilayer membranes.