Showing cond-mat.mtrl-sciShow all
2 papers · 1 filter
cond-mat.mtrl-sci2026
Predictive autoencoder-transformer model of Cu oxidation state from EELS and XAS spectra
Brian Lee, Linna Qiao, Samuel Gleason +5
X-ray absorption spectroscopy (XAS) and electron energy-loss spectroscopy (EELS) produce detailed information about oxidation state, bonding, and coordination, making them essentia…
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…