Olaf Wiest

Machine learning and artificial intelligence have proven to be useful tools with a myriad of applications in all areas of chemistry. This presentation will present some aspects of the progress towards an end-to-end solution for organic synthesis that is applicable in an industrial setting. A consistent workflow embedded in AiZynth using LLM’s for large-scale information extraction, chemistry- and physics award ML models, progress and challenges for yield models and the Q2MM method for the prediction of stereoselectivity will be presented. 

Olaf Wiest received his Dr. rer. nat at the University of Bonn, Germany for his work on electron transfer catalyzed Diels-Alder reactions. He did postdoctoral work on computational organic chemistry with Ken Houk at UCLA as a Lynen Fellow of the Alexander von Humboldt Foundation. He has been a faculty member at the University of Notre Dame since 1996, most recently as the Grace-Rupley Professor of Chemistry&Biochemistry. He is the director of the NSF Center for Computer Assisted Synthesis which is dedicated to applications of machine learning in organic synthesis. 

• Time: 11:00 AM
• Location: 206 Furnas Hall