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Graph neural network-driven prediction of high-performance CO2 reduction catalysts based on Cu-based high-entropy alloys

Zihao Jiao, Chengyi Zhang, Ya Liu, Liejin Guo, Ziyun Wang

2025CHINESE JOURNAL OF CATALYSIS (CHINESE VERSION)12 citationsDOI

Topics & Concepts

Artificial neural networkHigh entropy alloysGraphCatalysisEntropy (arrow of time)Computer scienceReduction (mathematics)Artificial intelligenceMaterials scienceMathematicsThermodynamicsChemistryMetallurgyTheoretical computer sciencePhysicsMicrostructureBiochemistryGeometryCO2 Reduction Techniques and CatalystsCatalytic Processes in Materials ScienceMachine Learning in Materials Science
Graph neural network-driven prediction of high-performance CO2 reduction catalysts based on Cu-based high-entropy alloys | Litcius