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.   

8/2024 :  We proudly announce that Wonseok Lee (이원석), Junkil Park (박준길), and Mingyu Jeon (전민규) have completed their Ph.D. degree successfully. Wonseok will start his career at Samsung Electronics (제조 & 기술담당). Junkil will start postdoctoral research at Seoul National University (Prof. Yousung Jung). Mingyu will start postdoctoral research at KIST Computational Science Research Center. Best wishes for their future endeavors!