Research Interests:
Computational Simulation and Design of Biomolecular Systems
Computational Material Science
- Computer-Aided Personalized Drug Discovery.
- Rational drug design.
- Artificial inteligent
- Computational simulations of mechanical unfolding of proteins by optical tweezers.
- Computational modeling and design of hybrid bio-inorganic surfaces and interfaces.
- Biomimetics and rational de novo design of new peptide and protein assemblies.
- Design and engineering of nano biomaterials for nanobiotechnology applications.
- Regenerative medicine and tissue engineering
Computational Material Science
- Predictive modeling of functional nano materials.
- Analysis of electronic and geometric properties of nanostructures on surfaces.
- Surface diffusion and growth on flat, stepped and heteroepitaxial metal thin-films.
- Vibrational dynamics of the surfaces, nanostructures, complex systems.
- Atomic and molecular scale electronic transport.