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Antônio Junio Araujo Dias

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Open access Aug 2026

Chemically Interpretable Prediction Models for Silicon and Germanium Bond Dissociation Enthalpies

Despite the widespread use of machine learning (ML) to predict the bond dissociation enthalpy (BDE) of bonds involving C, H, N, O, S, P, and halogens, bonds involving heavy atoms in group 14, such as Si (silicon) and Ge (germanium), remain largely understudied. In addition, many state-of-the-art models have associated...

Antônio Junio Araujo Dias, Yuki Nagashima · ACS Omega · 0 citations