Machine learning for heterogeneous catalyst design and discovery BR Goldsmith, J Esterhuizen, JX Liu, CJ Bartel, C Sutton John Wiley & Sons, 2018 | 332 | 2018 |
Interpretable machine learning for knowledge generation in heterogeneous catalysis JA Esterhuizen, BR Goldsmith, S Linic Nature catalysis 5 (3), 175-184, 2022 | 148 | 2022 |
Theory-guided machine learning finds geometric structure-property relationships for chemisorption on subsurface alloys JA Esterhuizen, BR Goldsmith, S Linic Chem 6 (11), 3100-3117, 2020 | 71 | 2020 |
Surface-Immobilized Conjugated Polymers Incorporating Rhenium Bipyridine Motifs for Electrocatalytic and Photocatalytic CO2 Reduction NM Orchanian, LE Hong, JA Skrainka, JA Esterhuizen, DA Popov, ... ACS Applied Energy Materials 2 (1), 110-123, 2018 | 56 | 2018 |
Uncovering electronic and geometric descriptors of chemical activity for metal alloys and oxides using unsupervised machine learning JA Esterhuizen, BR Goldsmith, S Linic Chem Catalysis 1 (4), 923-940, 2021 | 30 | 2021 |
High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing JA Esterhuizen, A Mathur, BR Goldsmith, S Linic Journal of the American Chemical Society, 2024 | | 2024 |
Discovery of Stable and Active Iridium-Molybdenum Oxide Electrocatalyst for the Oxygen Evolution Reaction Using Bayesian Optimization A Mathur, J Esterhuizen, B Goldsmith, S Linic 2023 AIChE Annual Meeting, 2023 | | 2023 |
Unsupervised Machine Learning to Extract the Electronic and Chemical Properties of Alloy and Metal Oxide Surfaces J Esterhuizen, B Goldsmith, S Linic 2021 AIChE Annual Meeting, 2021 | | 2021 |
Theory-Guided, Interpretable Machine Learning Finds Predictive Geometric Structure-Property Relationships for Chemisorption on Alloys J Esterhuizen, B Goldsmith, S Linic 2020 Virtual AIChE Annual Meeting, 2020 | | 2020 |
MACHINE-LEARNING INTERPRETABLE CHEMISORPTION MODELS FOR ALLOYS J Esterhuizen, BR Goldsmith, S Linic 42nd Annual MC-NACS Symposium, 0 | | |