Caltech Faculty Members to Collaborate on Computer-Aided Chemistry Initiative at Notre Dame

Hosea Nelson and Sarah Reisman, professor of chemistry and Bren Professor of Chemistry, respectively, are joining an effort by the University of Notre Dame to use machine learning to develop new chemistry methods.

Nelson and Reisman are faculty affiliates of the Center for Computer-Assisted Synthesis (C-CAS), which is one of seven National Science Foundation Centers for Chemical Innovation (CCI), and which recently received a $20 million grant from the NSF.

"With its collaborative network of data scientists, computer scientists and synthetic and computational chemists, C-CAS is poised to introduce potentially paradigm-shifting approaches," said David Berkowitz, the Director of the NSF Division of Chemistry. "This Center for Chemical Innovation promises to add an important data-driven dimension to synthesis to complement the intuition of the synthetic chemist, while building on the principles of mechanistic understanding, atom economy, symmetry and convergency."

Reisman and Nelson are joined as affiliates by Connor Connor Coley of MIT, Abby Doyle and Wei Wang of UCLA, Gabriel Gomes and Olexandr Isayev of Carnegie Mellon University, Rob Paton of Colorado State University, Richmond Sarpong and Dean Toste of UC-Berkeley, and Matthew Sigman of the University of Utah.

For more information about C-CAS and the NSF grant it received, see this press release from the University of Notre Dame.