Open access
Oct 2026
RACE: A Modular and Interpretable Radial–Angular Correlation Descriptor for Atomistic Machine Learning
Atomistic machine learning (ML) representations involve trade-offs among predictive accuracy, physical interpretability, descriptor dimensionality, and computational cost. Here, we introduce the Radial–Angular Correlation Descriptor (RACE), a modular representation constructed from radial distributions, angular distr...
R. Tromer, J. de Lima, C. Woellner et al.
· Journal of Chemical Theory a... · 0 citations