We use computer simulation techniques, especially molecular dynamics simulation methods, to investigate the structural properties and phase transformations of nano, chemical, and biological systems. We are interested in both the specific physical behaviors of given systems and the more general physics principles behind them.

Ionic Liquids

   After finding the nanoscale structural heterogeneity in ionic liquids, we are now investigating their nonequilibrium behavior driven by external electric fields and their interactions with gas molecules.


Self-Assembly of Nanometals

   Nanometals can self-assemble to form regular fractal structures. We try to understand the microscopic mechanisms of their self-assembly.


Aggregation and Self-assembly of Biomolecules

   PWe try to reveal the microscopic mechanisms of the self-assembly of biomolecules, and find the relationship between the macroscopic or mesoscopic assembled morphology and the molecular structures and interactions.


Statistical Mechanics of Soft Materials

   Try to reveal the fundamental laws of enthalpy-entropy balance in soft materials. .


Working Mechanisms of Biomotors

   Try to understand the microscopic working mechanisms of biomotors by combining the theories for the interactions between proteins, ionic solutions, and biomembranes and the statistical mechanics of soft materials and nonequilibrium processes.


Molecular Coarse-Grained Modeling and Simulation

   Building the coarsed-grained models at the molecular level by grouping several atoms into one dimensionless point and performing the coarse-grained simulations.