Computational Catalysis and Emerging Materials Laboratory

연구실 소개

We have interest in designing Catalysis & Energy Materials via the rational approaches from computational modeling and simulation to experimental validation! The Computational Catalysis and Emerging Materials Laboratory, led by Professor Jungwoo Han of the Department of Materials Science and Engineering, uses computational chemistry techniques to design new materials, predict their properties, and then experimentally verify them to develop new catalysts and energy materials. Key research areas include energy and environmental materials research such as catalysts for hydrogen fuel cell electrodes, hydrogen storage catalysts, and exhaust gas reduction catalysts. As computational chemistry research accumulates data, it can more accurately predict the interactions of particles and conduct virtual experiments in less time and at lower cost. Our lab aims to build an energy material database based on computational chemistry simulations and, based on this, integrate artificial intelligence into material and catalyst development to develop and commercialize new catalysts and energy materials.