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Developing machine learning for heterogeneous catalysis with experimental and computational data

Carlota Bozal‐Ginesta, Sergio Pablo‐García, Changhyeok Choi, Albert Tarancón, Alán Aspuru‐Guzik

2025Nature Reviews Chemistry51 citationsDOI

Topics & Concepts

ThroughputField (mathematics)Computer scienceMachine learningExperimental dataHeterogeneous catalysisComputational modelArtificial intelligenceCatalysisBiochemical engineeringChemistryEngineeringMathematicsWirelessStatisticsTelecommunicationsBiochemistryPure mathematicsMachine Learning in Materials ScienceCatalysis and Oxidation ReactionsElectrocatalysts for Energy Conversion
Developing machine learning for heterogeneous catalysis with experimental and computational data | Litcius