Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
Published in Advanced Materials, 2024
Paper / Tohoku University Research News / GitHub /
Development of ensemble-embedding graph neural networks for direct prediction of optical spectra from crystal structures.
Recommended citation: Hung, N.T., Okabe, R., Chotrattanapituk, A., & Li, M. (2024). Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structure. Advanced Materials, 2409175.
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