Lecture
This lecture explores the automation of chemical synthesis, focusing on catalyst discovery and optimization using machine learning and computational chemistry. The Gomes Group at the University is at the forefront of developing end-to-end frameworks for catalyst design. Through machine-guided reaction optimization and autonomous catalyst discovery platforms, the team aims to revolutionize the field. The lecture delves into the development of virtual libraries, generative models, and regression techniques for predicting and optimizing catalyst properties. By leveraging advanced computational tools and innovative approaches, the Gomes Group is paving the way for autonomous catalyst discovery and optimization.