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
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