Virtual node graph neural network for full phonon prediction
Ryotaro Okabe, Abhijatmedhi Chotrattanapituk, Artittaya Boonkird, Nina Andrejevic, Xiang Fu, Tommi Jaakkola, Qichen Song, Thanh Bình Nguyễn, Nathan C. Drucker, Sai Mu, Yao Wang, Bolin Liao, Yongqiang Cheng, Mingda Li
Topics & Concepts
Computer scienceNode (physics)GraphArtificial neural networkArtificial intelligenceTheoretical computer sciencePhysicsQuantum mechanicsMachine Learning in Materials ScienceThermal properties of materialsSemiconductor materials and interfaces