A field-aware neural network potential computes polarization, Born charges, and polarizability by exact differentiation of a learned electric enthalpy, reproducing DFT-level dielectric and ferroelectric response across materials.
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General Learning of the Electric Response of Inorganic Materials
A field-aware neural network potential computes polarization, Born charges, and polarizability by exact differentiation of a learned electric enthalpy, reproducing DFT-level dielectric and ferroelectric response across materials.