Credit: Nature Chemistry (2024)
https://doi.org/10.1038/s41557-023-01427-3
Researchers developed a general reactive MLIP (ANI-1xnr) through automated sampling of condensed-phase reactions. ANI-1xnr was then applied to study five distinct systems: carbon solid-phase nucleation, graphene ring formation from acetylene, biofuel additives, combustion of methane and the spontaneous formation of glycine from early earth small molecules.