publications

Below is a list of my publications, listed in reverse chronological order.

2024

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    High-Performance Iridium–Molybdenum Oxide Electrocatalysts for Water Oxidation in Acid: Bayesian Optimization Discovery and Experimental Testing
    Jacques A. Esterhuizen, Aarti Mathur, Bryan R. Goldsmith, and 1 more author
    Journal of the American Chemical Society, 2024

2022

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    Interpretable machine learning for knowledge generation in heterogeneous catalysis
    Jacques Esterhuizen, Bryan R Goldsmith, and Suljo Linic
    Nature Catalysis, 2022

2021

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    Uncovering electronic and geometric descriptors of chemical activity for metal alloys and oxides using unsupervised machine learning
    Jacques Esterhuizen, Bryan R Goldsmith, and Suljo Linic
    Chem Catalysis, 2021

2020

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    Theory-guided machine learning finds geometric structure-property relationships for chemisorption on subsurface alloys
    Jacques Esterhuizen, Bryan R Goldsmith, and Suljo Linic
    Chem, 2020

2018

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    Surface-immobilized conjugated polymers incorporating rhenium bipyridine motifs for electrocatalytic and photocatalytic CO2 reduction
    Nicholas M Orchanian, Lorena E Hong, John A Skrainka, and 3 more authors
    ACS Applied Energy Materials, 2018
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    Machine learning for heterogeneous catalyst design and discovery
    Bryan R Goldsmith, Jacques Esterhuizen, Jin-Xun Liu, and 2 more authors
    2018