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20232026
most citedPrediction of the Cu Oxidation State from EELS and XAS Spectra Using Supervised Machine Learning

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cond-mat.mtrl-sci2024

CuXASNet: Rapid and Accurate Prediction of Copper L-edge X-Ray Absorption Spectra Using Machine Learning

Samuel P. Gleason, Matthew R. Carbone, Deyu Lu +1

In this work, we have developed CuXASNet, a dense neural network that predicts simulated Cu L-edge X-ray absorption spectra (XAS) from atomic structures. Featurization of the Cu lo…