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Bayesian Optimization of Electrochemical Devices for Electrons-to-Molecules Conversions

April 22, 2026
Daniel Frey, K. C. Neyerlin, Miguel A. Modestino

Posted in Reaction Chemistry & Engineering on October 21, 2022

Abstract

Electrons-to-molecules conversions have emerged as a route to integrate renewable electricity into chemical production processes. The practical implementation of these conversions depends on the optimization of many electrolyzer design and operating parameters. This work demonstrates the use of Bayesian optimization to improve a membrane electrode assembly (MEA) CO₂ electrolyzer, targeting the production of CO through dynamic pulsed electrolysis.

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Frey, D.; Neyerlin, K.C.; Modestino, M.A. "Bayesian Optimization of Electrochemical Devices for Electrons-to-Molecules Conversions." React. Chem. Eng., 2023, 8, 323. https://doi.org/10.1039/D2RE00285J

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