Speaker: David Balcells
Title: Machine Learning Reactivity at the Fundamental Steps of Transition Metal Catalysis
Short Abstract: After a brief overview on the topic of machine learning in Chemistry, I will discuss different representations, models and interpretation strategies relevant to catalysis based on transition metals. The activation of hydrogen in the chemical space surrounding Vaska's complex will be presented as case study to assess the accuracy, affordability and explainability of machine learning models in this field.
The Hylleraas seminars alternate between Oslo (room V205) and Tromsø (room C302), and are broadcasted by video conference to the other place. It is possible to follow the seminars externally upon request.