3 papers
cond-mat.mtrl-sci2026
Rongzai agent: A Large Language Model-Based Autonomous Assistant for Rietveld Refinement of Neutron Diffraction Data
Qingmeng Li, Hao Wang, Dongbo Xiong +11
Neutron diffraction (ND) is an indispensable technique for determining atomic positions (especially light elements) and thus serves as a critical probe for revealing microscopic st…
cond-mat.mtrl-sci2026
G-type antiferromagnetic structure in Rb1-xV2Te2O
Wu Xie, Changchao Liu, Fayuan Zhang +12
Altermagnetism, known for its non-relativistic spin-split band structures with yet compensated moments, is being intensively investigated. Discovering new altermagnetic materials w…
cs.NE2025
Designing a Dataset for Convolutional Neural Networks to Predict Space Groups Consistent with Extinction Laws
Hao Wang, Jiajun Zhong, Yikun Li +2
In this paper, a dataset of one-dimensional powder diffraction patterns was designed with new strategy to train Convolutional Neural Networks for predicting space groups. The diffr…