Deyu Lu
- Spectroscopy-Guided Discovery of Three-Dimensional Structures of Disordered Materials with Diffusion Models
2023/12/09 by Hyuna Kwon, Kwon, Hyuna, Tim Hsu +18 · 6 citations
Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #X-ray Diffraction in Crystallography #Theoretical and Computational Physics
- Uncertainty-aware predictions of molecular X-ray absorption spectra using neural network ensembles
2022/10/01 by Animesh K. Ghose, Ghose, Animesh, Mikhail Segal +17 · 2 citations
Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci)
- Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
2022/10/28 by Matthew R. Carbone, Carbone, Matthew R., Fanchen Meng +17 · 1 citation
Materials Science · Physics and Astronomy · #Machine Learning in Materials Science #Electron and X-Ray Spectroscopy Techniques #X-ray Spectroscopy and Fluorescence Analysis
- CuXASNet: Rapid and Accurate Prediction of Copper L-edge X-Ray Absorption Spectra Using Machine Learning
2024/12/03 by Samuel P. Gleason, Gleason, Samuel P., Matthew R. Carbone +5 · 2 citations
Engineering · Materials Science · #Advanced X-ray and CT Imaging #FOS: Physical sciences #Machine Learning in Materials Science #Materials Science (cond-mat.mtrl-sci) #X-ray Diffraction in Crystallography
- Simulated sulfur K-edge X-ray absorption spectroscopy database of lithium thiophosphate solid electrolytes
2023/01/31 by Haoyue Guo, Guo, Haoyue, Matthew R. Carbone +21 · 1 citation
Engineering · Materials Science · Physics and Astronomy · #Advanced Battery Materials and Technologies #FOS: Physical sciences #Glass properties and applications #Materials Science (cond-mat.mtrl-sci) #X-ray Spectroscopy and Fluorescence Analysis