Fine-tuning universal MLIPs on enumerated 2D TMDC structures cuts mixing-energy MAE from ~16-25 meV/unit to ~2 meV/unit and enables Monte-Carlo phase-separation simulations of (Mo,Ta,Nb,W,V)S2.
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Fine-tuning of universal machine-learning interatomic potentials for high-entropy alloys with application to 2D (Mo,Ta,Nb,W,V)S$_2$
Fine-tuning universal MLIPs on enumerated 2D TMDC structures cuts mixing-energy MAE from ~16-25 meV/unit to ~2 meV/unit and enables Monte-Carlo phase-separation simulations of (Mo,Ta,Nb,W,V)S2.