Equivariant GNNs outperform prior models on optical spectra and static permittivity prediction using RPA datasets for materials screening.
Dielectric Function of Semiconductors and Insulators under the Independent Particle Approximation and the Random Phase Approximation
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Equivariant Graph Neural Networks Improve Optical Spectra Prediction for Materials Screening
Equivariant GNNs outperform prior models on optical spectra and static permittivity prediction using RPA datasets for materials screening.