Three Chemical Prediction Problems that AI will Solve (with Our Help)
Event details
| Date | 12.11.2024 |
| Hour | 15:15 › 16:15 |
| Speaker | Brett Savoie is the inaugural Coyle Mission Collegiate Professor of Engineering in the Department of Chemical and Biomolecular Engineering at the University of Notre Dame. Brett graduated with degrees in chemistry and physics from Texas A&M University in 2008, obtained his Ph.D. in theoretical chemistry from Northwestern University in 2014, and from 2014-2017 was a postdoc with Thomas Miller at Caltech. In 2017, Brett joined the faculty of the Davidson School of Chemical Engineering at Purdue University, where he established an independent research group to develop physics-based and machine learning methods to characterize and discover new organic materials. In 2022, Brett was promoted to the Charles Davidson Associate Professor of Chemical Engineering at Purdue University. In July 2024, Brett joined the faculty at Notre Dame to advance computational materials research and lead the university’s Scientific AI (SAI) initiative. Brett is the recipient of the ACS PRF, NSF CAREER, Dreyfus Machine Learning in the Chemical Sciences, and ONR YIP awards. |
| Location | Online |
| Category | Conferences - Seminars |
| Event Language | English |
The reaction prediction, reaction network prediction, and product identification problems are each pain points in the vision to digitize and automate reaction discovery. In this talk, I’ll briefly define each of these related problems and outline our group’s selected approaches to filling these methodological gaps. The common thread for all three is that the maturation of machine learning approaches—combined with the decades of physics-based methods preceding it—puts the field within reach of “solving” each of these problems. Of course, claims to “solve” a problem are sure to invite welcome discussion!
Practical information
- General public
- Free
Organizer
- Yannick Calvino Alonso, Andres M Bran, Rebecca Neeser, Philippe Schwaller
Contact
- Yannick Calvino Alonso, Andres M Bran, Rebecca Neeser, Philippe Schwaller