Crystal Structure Prediction by Joint Equivariant Diffusion.

Rui Jiao Wenbing Huang Peijia Lin Jiaqi Han Pin Chen Yutong Lu Yang Liu

Published in: CoRR (2023)

Keyphrases

data mining
artificial intelligence
artificial neural networks
evolutionary algorithm
prediction model
anisotropic diffusion
geometric structure
real time
databases
machine learning
web pages