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cond-mat.mtrl-sci2026
Hybrid DiffractGPT-Rietveld Refinement Framework for Automated X-ray Diffraction Analysis
Charles Rhys Campbell, Justin Ely, Jaehyung Lee +2
X-ray diffraction (XRD) is fundamental to structural materials characterization, yet transforming a raw powder pattern into a refined crystal structure still demands considerable d…
cond-mat.mtrl-sci2026
RamanGPT: Bidirectional Mapping Between Crystal Structures and Raman Spectra with Graph Neural Networks and Generative Transformers
Frank M. Abel, Jaehyung Lee, Charles R. Campbell +1
Raman spectroscopy is one of the most accessible vibrational probes in materials laboratories, but its forward problem (structure to spectrum) is bottlenecked by the cost of densit…