1) Investigation of Chemical Reactivity and Selectivity through Quantum Chemistry

2) Application of Density Functional Theory of Optical and Nonlinear Optical

3) Application of Density Functional Theory of compounds including lanthanide atoms
4)  Molecular switches

5) Data Storage
6) QSAR

Quantum Mechanics ;  Quantum Chemistry, Computational Chemistry; DFT & TD-DFT Calculations; Molecular Structure;  Electronic Structure; Linear and Nonlinear Optical; Conceptual Density Functional Theory; Chemical Bonding; QTAIM Analysis