Presentation Information
[C-249P]Comprehensive Evaluation of Oxidation Resistance for Tertiary Phosphines Using uMLIP-Aided MD Simulation
○Yuri Asai1, Toshiya Sato2, Uika Koshimizu1, Yuji Hakozaki1, Kenshin Takei3, Kazuki Mori3, Shunsaku Yasumura3, Tatsushi Ikeda3, Yoshihiro Yayama1 (1. ENEOS Holdings, Inc., 2. ENEOS Corporation, 3. The University of Tokyo)
Keywords:
universal machine learning interatomic potential,uMLIP,molecular dynamics,phosphine,oxidation resistance,survival analysis