Presentation Information

[B1-O302-03]Nuclear Quantum Effects on Phase Transitions and Proton Diffusion in Perovskite Oxides via Machine-Learning-augmented Molecular Dynamics

*Kansei Kanayama1,2, Syunya Yamada2, Kazuaki Toyoura2 (1. Institute of Science Tokyo (Japan), 2. Kyoto University (Japan))

Keywords:

Nuclear Quantum Effects,Perovskite Oxides,Molecular Dynamics,Machine Learning Potentials