Polarizable atomic multipoles predicted locally plus linear response for non-local effects improve electrostatic accuracy in MLIPs and recover Born effective charges, polarizabilities, and experimental infrared spectra.
Machine learning the electric field response of condensed phase systems using perturbed neural network potentials
1 Pith paper cite this work. Polarity classification is still indexing.
1
Pith paper citing it
fields
cond-mat.mtrl-sci 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
citing papers explorer
-
Polarizable atomic multipoles for learning long-range electrostatics
Polarizable atomic multipoles predicted locally plus linear response for non-local effects improve electrostatic accuracy in MLIPs and recover Born effective charges, polarizabilities, and experimental infrared spectra.