HAN Sang Soo 2024-01-12T16:34:49Z 2024-01-12T16:34:49Z 2021-09-29 0065-7727 https://pubs.kist.re.kr/handle/201004/91649 English AMER CHEMICAL SOC First principles Reactive force field Multiscale simulation Catalyst Battery A KEY PLAYER FOR DESIGNING NOVEL ENERGY-RELATED MATERIALS: MULTI-SCALE SIMULATION BASED ON FIRST-PRINCIPLES AND REACTIVE FORCE FIELD Conference 1 ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY US