Navigating the unknown with AI: multiobjective Bayesian optimization of non-noble acidic OER catalysts
Ken J. Jenewein, Luca Torresi, Navid Haghmoradi, Attila Kormányos, Pascal Friederich, Serhiy Cherevko
Abstract
This study highlighted the effectiveness of AI-driven multiobjective Bayesian optimization for electrocatalysis, accelerating the search for active and stable compositions for the acidic oxygen evolution reaction by 17x.
Topics & Concepts
Bayesian optimizationBayesian probabilityElectrocatalystCatalysisComputer scienceMulti-objective optimizationMathematical optimizationChemistryArtificial intelligenceMachine learningMathematicsBiochemistryElectrodeElectrochemistryPhysical chemistryElectrocatalysts for Energy ConversionMachine Learning in Materials ScienceFuel Cells and Related Materials