15 citations · 21 across the 3 of their papers we have counts for
3 papers
cond-mat.mtrl-sci2024★ 1 cited
Powder Diffraction Crystal Structure Determination Using Generative Models
Qi Li, Rui Jiao, Liming Wu +6
Accurate crystal structure determination is critical across all scientific disciplines involving crystalline materials. However, solving and refining inorganic crystal structures f…
cs.LG2024★ 15 cited
Space Group Constrained Crystal Generation
Rui Jiao, Wenbing Huang, Yu Liu +2
Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods…
q-bio.QM2022★ 5 cited
Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs
Rui Jiao, Jiaqi Han, Wenbing Huang +2
Pretraining molecular representation models without labels is fundamental to various applications. Conventional methods mainly process 2D molecular graphs and focus solely on 2D ta…