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Author

Christophe Copéret

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Sep 2026

Case Study of Bayesian Batch Optimization Strategies for Heterogeneous Catalysts in CO2 Hydrogenation

High-throughput and automated experimentation platforms combined with artificial intelligence are increasingly used to accelerate catalyst discovery. Batch Bayesian optimization (BO) (i.e., the simultaneous selection of multiple candidate experiments per iteration) is widely adopted for navigating large compositional...

Erwin Lam, Kourosh Shariat, Leo Chevalier et al. · 0 citations
Jul 2026

Machine Learning-Assisted Development of High-Performance Ethanol Synthesis Catalysts via CO2 Hydrogenation.

The discovery and development of high-performance catalysts, which is crucial across all catalysis areas, requires advanced technologies and innovative approaches. Recently, machine learning (ML) has shown promise in accelerating this process, but its capability and examples of discovery of truly novel catalysts have r...

Pengfei Du, Abdellah Ait El Fakir, S. Mine et al. · 0 citations

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