Adaptive mixed variable Bayesian self-optimisation of catalytic reactions

Abstract

Catalytic reactions play a central role in many industrial processes, owing to their ability to enhance efficiency and sustainability. However, complex interactions between the categorical and continuous variables leads to...

Accelerating reaction optimization through data-rich experimentation and machine-assisted process development

“…In recent years, the application of feedback optimization algorithms to guide experiments towards desired conditions has proven to be an effective and efficient approach to process development. 10–14 This is particularly evident in scenarios with complex syntheses with multiple reaction variables. Initially implemented in flow reactor systems, where sequential experiments can be easily modified by adjusting flow rates, early examples identified local solutions to simple optimization problems.…”