My research interests focus on condensed-matter theory and computational materials science. In particular, I am interested in understanding fundamental properties of various energy materials including hybrid organic/inorganic semiconductor interfaces, perovskite solar cells, rechargeable batteries, and more. I mainly employ density-functional theory (DFT) and beyond-DFT (time-dependent DFT) methodology to compute ground-state and excited-state electronic properties of target materials. I am also interested in developments of DFT methods. Special interest lies in understanding the role of ubiquitous dispersion interaction (which is lacking in conventional DFT) in the structural and electronic properties of complex systems

(1) Benchmarking density functional approximations (DFAs) and going beyond

(2) Hybrid organic/inorganic semiconductor interfaces

(3) Rechargeable batteries