Modelling Complex Systems in Full Detail: A New Approach

摘要

We introduce a new hybrid method as a merger of two well-established mesoscopic methods, dynamic density functional theory (DDFT) and Brownian Dynamics (BD), by defining a coupling between particles and fields. The method is particularly suited for the efficient computational modelling of complex systems with a large variety of constituents. We discuss the potential of this method for typical systems and show the results of simulations for a nanoparticle/polymer mixture.