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
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