[22a-M206-1~11] 23.1 Joint Session N "Informatics"

△ [22a-M206-1] Extension of the scope of application of neural network potential PFP for Matlantis

〇So Takamoto¹, Chikashi Shinagawa¹ (1.PFN)

Keywords:Neural Network Potential, Molecular Dynamics, Materials Informatics

The authors recently published in a journal article a neural network potential PFP that can be applied to arbitrary combination of 45 elements. This presentation focuses on the two version upgrades that were made during the development of the PFP after submission of the paper, and reports on the extension of the scope of application of the PFP through expansion of the elemental species and improvement of accuracy through expansion of the dataset.