Machine-Learned Interatomic Potential for the Mo-S-Al-O System

Emir Bilgili, Nicholas Taormina, Simon R. Phillpot +1

We develop a machine-learned neuroevolution potential (NEP) for the Mo-S-Al-O system, targeting MoS${}_2$ heteroepitaxy on c-plane sapphire, $\alpha$-Al${}_2$O${}_3$(0001). The potential is t…