Goal

My research combines first-principles calculations, theoretical modeling, high-performance computing (HPC), and ML/AI-assisted materials discovery to understand and design emerging functional materials. I focus on optoelectronic, energy, catalytic, topological, magnetic, quantum materials, MOFs, and strongly correlated systems, aiming to uncover fundamental mechanisms and accelerate the discovery of materials with useful electronic, magnetic, optical, and chemical functionalities. This integrated physics-based and data-driven approach is key to advancing sustainable energy, quantum devices, intelligent electronics, and next-generation functional materials.