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• A Transferable Recommender Approach for Selecting the Best Density Functional Approximations in Chemical Discovery
  2022 · 32 citations
• Active Learning Exploration of Transition Metal Complexes to Discover Method-Insensitive and Synthetically Accessible Chromophores
  2022 · 31 citations
• Ligand additivity relationships enable efficient exploration of transition metal chemical space
  2022 · 23 citations
• Machine learning models predict calculation outcomes with the transferability necessary for computational catalysis
  2022 · 18 citations
• Two Wrongs Can Make a Right: A Transfer Learning Approach for Chemical Discovery with Chemical Accuracy
  2022 · 1 citations
• Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery
  2021
• Low-cost machine learning approach to the prediction of transition metal phosphor excited state properties
  2022