Automated Discovery of Hydrogen Sulfide Adsorption on Refractory Oxides via Foundation Model-Accelerated Atomistic Modeling and In Situ Spectroscopy
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Dataset for the article Automated Discovery of Hydrogen Sulfide Adsorption on Refractory Oxides via Foundation Model-Accelerated Atomistic Modeling and In Situ Spectroscopy, including DFT optimizations, HSE single points, DFPT calculations, as well as MLP adsorptions.
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2026-04-29
