General Learning of the Electric Response of Inorganic Materials

Bradley A. A. Martin, Alex M. Ganose, Venkat Kapil +2

We introduce \texttt{MACE-Field}, a field-aware, $O(3)$-equivariant interatomic potential that learns a single electric enthalpy functional $\mathcal{F}(\{\mathbf{R}\},\mathbf{E})$ an…