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, bioinorganic chemistry and soft condensed matter physics. Following resarch areas are currently being pursued in the group.

• Theoretical chemistry
  • Development and application of multiscale simulation methods
  • Rare event simulations in complex systems
  • Development and analysis of enhanced sampling methods

• Molecular biophysics / bioinorganic chemistry
  • Molecular mechanism of cellular copper trafficking
  • Computer simulation of protein-protein interactions

• Soft matter
  • Peptide self-assembly
  • Self-assembly of hard particles