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.
· ACS Catalysis · 0 citations