About the Seminar:

Creating a new reaction is an exploration into the unknown. Fortunately, this exploration is supported by chemical knowledge, intuition, and tools that help us anticipate each turn along the path. In this talk I’ll give examples of how advanced computational methods can support the development of new reactions, in particular by introducing first principles research discovery toolkits and machine learning methods for reaction condition prediction. The methods will be demonstrated through collaboration with expert experimental research groups. Of specific interest will be group-10 catalyzed C-C coupling reactions, among other interesting reaction types such as carbonyl-olefin metathesis.

About the Speaker: 

Creating a new reaction is an exploration into the unknown. Fortunately, this exploration is supported by chemical knowledge, intuition, and tools that help us anticipate each turn along the path. In this talk I’ll give examples of how advanced computational methods can support the development of new reactions, in particular by introducing first principles research discovery toolkits and machine learning methods for reaction condition prediction. The methods will be demonstrated through collaboration with expert experimental research groups. Of specific interest will be group-10 catalyzed C-C coupling reactions, among other interesting reaction types such as carbonyl-olefin metathesis.

Pizza will be provided at the mixer for this seminar