Mesoscopic Modeling of Complex Systems: Dissipative Particle Dynamics and Minimal Models


Computer simulation of molecular systems is a useful and powerful tool to study the basic features of complex systems as an intermediate between theory and experiments. Most of the simulation of work is carried using Molecular Dynamics (MD) and Monte Carlo (MC) methods at the molecular level. At a macroscopic level, computational continuum mechanics is the most common approach in computer simulation. However, there is a substantial gap (time-wise and lengthwise) between macroscopic and atomic scales. Important efforts to narrow this gap have been reported by the research community. Among them, Stokesian Dynamics (SD), Brownian Dynamics, and more recently, Dissipative Particle Dynamics (DPD). In this talk, we explore the potential and limitations of DPD for the study and analysis of complex systems such as reverse micelles and and polymer–surfactant systems. Preliminary simulation results show that the technique has the potential to provide significant insight on the behavior complex systems.

Riverside, California