SNU QCHEM LAB

연구실 소개

Our research group deeply explores electron transfer processes induced by thermal, photonic, and electrical perturbations. In particular, we intensively study electron transfer processes occurring at the transition metal active sites of metalloproteins, atomically dispersed electrocatalysts, and transition metal oxide systems. Our research team elucidates the mechanism of electron transfer processes through simulations using traditional and quantum computers, and is dedicated to developing quantum chemical electronic structure theories for more accurate and efficient simulations. These efforts enable us to study electron transfer processes in complex and sophisticated systems that were previously impossible to research. Our ultimate goal is to train deep learning models based on the development of effective simulation techniques, and to provide key insights and directions for the design and development of innovative transition metal-based molecular and material systems.