Virtual Node Graph Neural Network for Full Phonon Prediction
Published in Nature Computational Science, 2024
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Innovative virtual node graph neural network architecture for comprehensive phonon property prediction from atomic coordinates.
Recommended citation: Okabe, R., Chotrattanapituk, A., Boonkird, A., Andrejevic, N., Fu, X., Jaakkola, T.S., Song, Q., Nguyen, T., Drucker, N.C., Mu, S., Liao, B., Cheng, Y., & Li, M. (2024). Virtual Node Graph Neural Network for Full Phonon Prediction. Nature Computational Science 4, 522-531.
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