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A graph neural network model with local environment pooling for predicting adsorption energies

Discovery of Graphene Growth Alloy Catalysts Using High-Throughput Machine Learning

Heterogeneous catalyst discovery for renewable energy applications using machine learning

  • Creator: Li, Xinyu
  • Resource Type: thesis
  • Date: 2022

Group and period-based representations for improved machine learning prediction of heterogeneous alloy catalysts

Low-Cost Pt Alloys for Heterogeneous Catalysis Predicted by Density Functional Theory and Active Learning

Improved representations of heterogeneous carbon reforming catalysis using machine learning

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