Our research is to understand structure-interaction property relations and its resulting microscopic or macroscopic behavior. To this end, We’ve developed theories and numerical methods and employed numerical simulations to study molecular phenomena and evaluated properties of a certain system, both qualitatively and quantitatively. Also we’ve used statistical mechanics to understand how molecular parameters translate into equilibrium and non-equilibrium thermodynamic behavior. These researches provide predictive tools for both static and kinetic properties for a new molecule design.
Specific areas of interest is as below;
– Theoretic and numerical development based on Self-Consistent Field theory (SCFT) for soft matters (complex fluids).
– To understand behaviors of Polymer solutions or melts using multi-scale Molecular approach, e.g., Molecular dynamics(MD) simulation, Monte Carlo(MC) approach, Dissipative particle dynamics(DPD) simulation.
– To investigate the electronic mechanism in nano-structrued materials or reactive process of catalysis using Density Functional theory(DFT).
– To drive theoretical model based on experimental data, especially wrinkle to fold transition on the polymeric liquid substrate.
– To perform Finite Element analysis for continuum simulations using COMSOL software.