Weighted Active Space Protocol for Multireference Machine-Learned Potentials
Publication
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A. Seal, S. Perego, M. R. Hennefarth, U. Raucci, L. Bonati, A. L. Ferguson, M. Parrinello, and L. Gagliardi, Weighted Active Space Protocol for Multireference Machine-Learned Potentials, PNAS, 2025, 122, e2513693122. DOI: 10.1073/pnas.2513693122