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Machine-learning-accelerated screening of Heusler alloys for nitrogen reduction reaction with graph neural network

Jing Zhou, Xiayong Chen, Jiang Xiao, Zean Tian, Wangyu Hu, Bowen Huang, Dingwang Yuan

2024Applied Surface Science15 citationsDOI

Topics & Concepts

Artificial neural networkReduction (mathematics)GraphNitrogenMaterials scienceArtificial intelligenceComputer scienceMachine learningPhysicsMathematicsTheoretical computer scienceQuantum mechanicsGeometryMachine Learning in Materials ScienceAmmonia Synthesis and Nitrogen ReductionHydrogen Storage and Materials
Machine-learning-accelerated screening of Heusler alloys for nitrogen reduction reaction with graph neural network | Litcius