Accelerating Combinatorial Electrocatalyst Discovery with Bayesian Optimization: a Case Study in the Quaternary

Felix Thelen1, Rico Zehl1, Ridha Zerdoumi1,2

  • 1Chair for Materials Discovery and Interfaces, Institute for Materials, Faculty of Mechanical Engineering, Ruhr University Bochum, Universitätsstraße 150, 44801, Bochum, Germany.

Summary

High-performance electrocatalysts are key for sustainable energy. This study used Bayesian optimization to efficiently explore complex metal alloys, quickly finding the best composition for the oxygen evolution reaction.

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