Artigo · Revista · 2026

Net force analysis of the B3LYP-D3BJ/DZVP subset of the SPICE dataset: A diagnostic tool for machine learning force fields

Humphrey D. Assem, Kofi Nyantakyi Appiah, Christiana Subaar

Journal of Molecular Graphics and Modelling

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Ir para a editora10.1016/j.jmgm.2026.109522