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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…