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cond-mat.mtrl-sci2025
Advancing AI-Driven Analysis in X-ray Absorption Spectroscopy: Spectral Domain Mapping and Universal Models
Nina Cao, Pavan Ravindra, Shubha R. Kharel +6
In recent years, rapid progress has been made in developing artificial intelligence (AI) and machine learning (ML) methods for x-ray absorption spectroscopy (XAS) analysis. Compare…
cond-mat.mtrl-sci2022
Lightshow: a Python package for generating computational x-ray absorption spectroscopy input files
Matthew R. Carbone, Fanchen Meng, Christian Vorwerk +7
First-principles computational spectroscopy is a critical tool for interpreting experiment, performing structure refinement, and developing new physical understanding. Systematical…