CuXASNet predicts Cu L3/L2 XAS spectra from atomic structure with accuracy comparable to FEFF9 simulations (MAE 0.125 vs 0.131 against experiments).
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CuXASNet: Rapid and Accurate Prediction of Copper L-edge X-Ray Absorption Spectra Using Machine Learning
CuXASNet predicts Cu L3/L2 XAS spectra from atomic structure with accuracy comparable to FEFF9 simulations (MAE 0.125 vs 0.131 against experiments).