[P] P166~P176 Computational Science

[P167] Investigation of a Mo-W Binary Model Toward the Development of Machine Learning Interatomic Potentials for Mo-Based Alloys

○Mohan Liu¹, Takahiro Kaneko¹, Kyosuke Yoshimi¹ (1. Tohoku University)

Keywords:

Mo-based solid solutions,Machine-learning interatomic potential,First-principles calculation

This study constructs a Mo-W binary machine-learning interatomic potential as a first step toward MLIPs for Mo-based alloys, using DFT data generation, DP-GEN training, and property validation.