Research: Mathematical and Computational Modeling of Soft Matter

“Soft Matter” is a very broad category of materials in which both energy and entropy play important role. Our primary goal is to develop hierarchical multi-scale methodologies that describe such systems in multiple time and length scales and to predict structure-property relations.

Our research interests include statistical mechanics, non-equilibrium molecular thermodynamics and  multi-scale simulations of polymers, biological membranes, interfacial systems and liquids.

To study such materials we are using atomistic simulation methods (molecular dynamics, MD, Monte Carlo, MC, non-equilibrium molecular dynamics, NEMD),  coarse-graining dynamic mesoscopic simulations and mathematical coarse-graining techniques.