Equivariant GNNs outperform prior models on optical spectra and static permittivity prediction using RPA datasets for materials screening.
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physics.optics 1years
2026 1verdicts
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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.