## Research Interests

1) Electronic Structure Theory, Quantum Chemistry, Condensed Matter Physics, Materials Science, and Surface Science.

2) Density functional theory (DFT) and time-dependent DFT : Meta generalized gradient approximation and its hybrid, self-interaction correction, charge transfer, strong correlation, d- and f-electron systems, band gap, excitonic effects, and double excitation.

3) Fundamental properties of two-dimensional (2D) materials and 3D layered materials with and without defects: Optical, electrical, magnetic, thermal, mechanical, and dielectric properties.

4) Surface catalysis: Surface adsorption and diffussion, water splitting, methane oxidation, carbon monoxide oxidation, and hydrogenation and dehydrogenation.

5) Energy conversion and storage: Layered materials based solar cells, and Li-ion and Li-air batteries.

2) Density functional theory (DFT) and time-dependent DFT : Meta generalized gradient approximation and its hybrid, self-interaction correction, charge transfer, strong correlation, d- and f-electron systems, band gap, excitonic effects, and double excitation.

3) Fundamental properties of two-dimensional (2D) materials and 3D layered materials with and without defects: Optical, electrical, magnetic, thermal, mechanical, and dielectric properties.

4) Surface catalysis: Surface adsorption and diffussion, water splitting, methane oxidation, carbon monoxide oxidation, and hydrogenation and dehydrogenation.

5) Energy conversion and storage: Layered materials based solar cells, and Li-ion and Li-air batteries.