Research Interests:

Computational Simulation and Design of Biomolecular Systems
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• 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 
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• 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.