Dr. Jer-Lai Kuo is a Research Fellow at the Institute of Atomic and Molecular Sciences, Academia Sinica, and a leading researcher in computational chemistry and materials science. His research combines first-principles calculations, quantum simulations, and artificial intelligence to reveal the atomic-scale structure and dynamics of molecular and condensed-matter systems. He has pioneered the development of ab initio structure-search and anharmonic simulation methods, enabling accurate prediction of molecular structures and vibrational spectra without empirical parameters. More recently, his group has integrated neural-network potentials with quantum mechanical calculations to dramatically accelerate materials discovery, opening new opportunities for AI-driven molecular design and computational materials research.