We are a theoretical and computational group interested in understanding structure and dynamics of complex systems using classical statistical mechanics. Our research program has an equal emphasis on development of new simulation methods and application of existing/new methods to important problems in chemistry, molecular biophysics and soft matter systems. Primary focus of our group is in the following areas.
- Development of application of multiscale simulation methods
- Development of machine learning based methods for free energy and rare event simulations
- Correlating structure, dynamics and functions for membrane proteins
- Biophysics of membrane transport proteins
- Design of complex structures by equilibrium and nonequilibrium self-assembly
- Dynamics of self-assembly in soft matter systems
- Inverse design of materials