Presentation Information
[B-105P]MLFF-Assisted ReaxFF Development for Transesterification Reactions
○ZHE ZHU1, Kazushi Fujimoto2 (1. Kansai Univ., ORDIST, 2. Kansai Univ., Faculty of Chem., Mater. and Bioeng.)
Keywords:
Machine-Learning Force Field,transesterification,REAXFF,Nudged elastic band (NEB) method