I am a computational materials scientist specializing in molecular modeling, electronic-structure theory, and the computational design of advanced functional materials. My research integrates Density Functional Theory (DFT), Time-Dependent DFT, many-body perturbation theory (GW–Bethe–Salpeter Equation), QM/MM calculations, and molecular dynamics simulations to elucidate the structural, electronic, and photophysical properties of complex material systems. My primary research focus is on organic luminescent materials, particularly thermally activated delayed fluorescence (TADF), room-temperature phosphorescence (RTP), and red/NIR with emphasis on charge-transfer excitons, singlet–triplet spectroscopy, excited-state dynamics, and organic electronics. I am also interested in machine-learning-driven prediction of photophysical properties, two-dimensional semiconducting nanomaterials, and the roles of interfaces and defects in governing material functionality. My computational research employs a broad range of scientific packages, including Gaussian, ORCA, VASP, QuantumATK, GROMACS, and related electronic-structure and molecular-simulation tools.
My teaching interests encompass Quantum Mechanics, Solid-State Physics, and Atomic and Molecular Physics. Through concept-driven teaching, computational demonstrations, and research-oriented learning, I aim to bridge fundamental physical principles with contemporary materials science, equipping students with strong theoretical foundations, computational proficiency, and the ability to address emerging scientific challenges.