We are a computational chemistry group at KAIST that focuses on solving some of today's most important energy and environmental related problems.  We aim to develop accurate and efficient models to create, in silico, materials that can be used for wide range of applications such as carbon capture, methane/hydrogen storage, and batteries.   Finally, we are not afraid to use concepts from many other disciplines (e.g. computer sciences, artificial intelligence, music, graphics) to develop unique solutions that can differentiate our group.   

1/2025:  We are proud to announce that Jaewoong(이재웅) and Jun Hee(우준희) have won the Bronze Award in the Energy & Environment category at the Samsung HumanTech Paper Award. Congratulations on their hard work and achievement!