most citedNEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements

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cond-mat.mtrl-sci2026★ 19 cited

NEP89: Universal neuroevolution potential for inorganic and organic materials across 89 elements

Ting Liang, Ke Xu, Eric Lindgren +16

While machine-learned interatomic potentials offer near-quantum-mechanical accuracy for atomistic simulations, many are material-specific or computationally intensive, limiting the…

cond-mat.mtrl-sci2024

General-purpose machine-learned potential for 16 elemental metals and their alloys

Keke Song, Rui Zhao, Jiahui Liu +25

Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicabil…