- Designing new and novel Super Organic bases
- Morphology of Ionic Solids
- Novel sensors for anions, cations and neutral molecules
- Ligand binding studies with DNA
- Acetylcholinessterase (AChE): Conformations, Dynamics, Hydrolysis and the Therapeutic Pharmacophores
- Alkali halide solvation in molecular and bulk systems
- Structural-Activity relationships in Organic and Inorganic systems
- Designing Pores and Channels by assembly of cyclic peptides
- We do collaborate with experimental chemists to design and synthesize the molecules/systems of immediate interest
- Design of efficient organic dye molecules for Dye-sensitized solar cells
