Research

Area of Interest

• Nuclear Waste Management

• Electronic structure characterization

• Host-Guest interactions and weak interactions

• Computational Modeling of reactions

• Theoretical spectroscopic predictions from TD-DFT analysis

• Hydrogen Bonding and Halogen Bonding

• Force Field Development & Sovation Dynamics

• Molecular Dynamics Simulation of Protein Ligand Interactions

• Reactions on Metal Surfaces and Heterogeneous Catalysis

• Molecular Modelling & Drug Designing

• Chemical Education