Fast machine learned interatomic potential for hydrogen-induced embrittlement in α-Fe

Eetu Makkonen, Alvaro Lopez-Cazalilla, Flyura Djurabekova

In this work, we present a machine-learned interatomic potential for the $\hat{I}\pm$-Fe-H system based on the tabulated Gaussian Approximation Potential (tabGAP) formalism. Trained on a D…