ANI-1xnr is applicable to a broad range of reactive chemistry without the need for retrofitting (IMAGE)

Southern Methodist University

ANI-1xnr is applicable to a broad range of reactive chemistry without the need for retrofitting

Caption

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.

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Nature Chemistry

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