Stanford University; Dept. of Comp. Sci. & Tech., Institute for AI, Tsinghua University; National Supercomputer Center in Guangzhou, School of Computer Science and Engineering, Sun Yat-sen University; Gaoling School of Artificial Intelligence, Renmin University of China
Rui Jiao, Wenbing Huang, Peijia Lin, Jiaqi Han, Pin Chen, Yutong Lu, Yang Liu
crystal structure prediction;equivariant graph neural networks;diffusion generative models
Crystal Structure Prediction by Joint Equivariant Diffusion