Presentation Information
[B1-P203-19]"Prediction of Oxygen-Deficient Structures in Transition-Metal Oxides Using Universal Machine Learning Potential and Ab Initio Calculation"
*Yu Takatsuka1, Kunihiko Yamauchi2, Tamio Oguchi2, Tomoki Yamashita1 (1. Nagaoka Univ. of Tech. (Japan), 2. Center for Spintronics Res. Network (Japan))
Keywords:
machine learning potential,ab initio calculation,transition-metal oxides,perovskite structure
