A graph neural network model with local environment pooling for predicting adsorption energies
Xinyu Li, Raymond Chiong, Zhongyi Hu, Alister J. Page
Topics & Concepts
PoolingChemistryAdsorptionCatalysisArtificial neural networkConvolutional neural networkGraphArtificial intelligencePhysical chemistryComputer scienceTheoretical computer scienceOrganic chemistryMachine Learning in Materials ScienceElectrocatalysts for Energy ConversionCO2 Reduction Techniques and Catalysts