Lightshowai is a web user interface to predict the x-ray absorption near edge structure (XANES) spectra using neural network models. Currently, the models we provide are OmniXAS models of 3d transition metal (Ti-Cu) K-edge at two levels of theory: FEFF model for all the 8 elements and VASP models for Ti and Cu only. We recommend users of Lightshowai to cite the following references: Benchmark [Phys. Rev. Materials 8, 013801 (2024)], Lightshow [Journal of Open Source Software 8 (87), 5182 (2023)], and OmniXAS [Phys. Rev. Materials 9, 043803 (2025)]. Please contact Deyu Lu (dlu@bnl.gov) if you have questions.
Funding acknowledgment
This research is based upon work supported by the U.S. Department of Energy, Office of Science, Office Basic Energy Sciences, under Award Number FWP PS-030. This research used the Theory and Computation resources of the Center for Functional Nanomaterials (CFN), which is a U.S. Department of Energy Office of Science User Facility, at Brookhaven National Laboratory under Contract No. DE-SC0012704. The Software resulted from work developed under a U.S. Government Contract No. DE-SC0012704 and are subject to the following terms: the U.S. Government is granted for itself and others acting on its behalf a paid-up, nonexclusive, irrevocable worldwide license in this computer software and data to reproduce, prepare derivative works, and perform publicly and display publicly.
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