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End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction

End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction

8 January 2024
Qingsi Lai
Lin Yao
Zhifeng Gao
Siyuan Liu
Hongshuai Wang
Shuqi Lu
Di He
Liwei Wang
Cheng Wang
Guolin Ke
Guolin Ke
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Papers citing "End-to-End Crystal Structure Prediction from Powder X-Ray Diffraction"

5 / 5 papers shown
Title
Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens
Uni-3DAR: Unified 3D Generation and Understanding via Autoregression on Compressed Spatial Tokens
Shuqi Lu
Haowei Lin
Lin Yao
Zhifeng Gao
Xiaohong Ji
W. Elwasif
Linfeng Zhang
Guolin Ke
41
0
0
20 Mar 2025
deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models
deCIFer: Crystal Structure Prediction from Powder Diffraction Data using Autoregressive Language Models
Frederik L. Johansen
Ulrik Friis-Jensen
Erik B. Dam
Kirsten M. Ø. Jensen
Rocío Mercado
Raghavendra Selvan
75
0
0
04 Feb 2025
Space Group Informed Transformer for Crystalline Materials Generation
Space Group Informed Transformer for Crystalline Materials Generation
Zhendong Cao
Xiaoshan Luo
Jianwei Lv
Lei Wang
AI4CE
16
16
0
23 Mar 2024
Riemannian Score-Based Generative Modelling
Riemannian Score-Based Generative Modelling
Valentin De Bortoli
Emile Mathieu
M. Hutchinson
James Thornton
Yee Whye Teh
Arnaud Doucet
DiffM
206
163
0
06 Feb 2022
Crystal Diffusion Variational Autoencoder for Periodic Material
  Generation
Crystal Diffusion Variational Autoencoder for Periodic Material Generation
Tian Xie
Xiang Fu
O. Ganea
Regina Barzilay
Tommi Jaakkola
DiffM
BDL
193
224
0
12 Oct 2021
1