RESEARCH PAPER · Nature Computational Science · 2024
Virtual node graph neural network for full phonon prediction
Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Artittaya Boonkird, Nina Andrejevic, Xiang Fu, Tommi Jaakkola, Qichen Song, Thanh Nguyen, Nathan C. Drucker, Sai Mu, Yao Wang, Bolin Liao, Yongqiang Q. Cheng, Mingda Li
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