Project Grant 2556070
- Professors Olaf Wiest and Paul Helquist at the University of Notre Dame are developing computational methods for the fast and accurate prediction of enantioselectivity in metal-catalyzed reactions under a $620,000 National Science Foundation project grant from the Mathematical and Physical Sciences program (CFDA 47.049). The project will continue work on a virtual screening tool that uses quantum-guided molecular mechanics to predict specific catalysts that will produce desired enantiomeric...
- The National Science Foundation Division of Chemistry awarded $600,000 to the University of Notre Dame on August 1, 2026, to develop iron-based catalysts for olefin metathesis as a sustainable alternative to ruthenium in advanced manufacturing. Under the Mathematical and Physical Sciences program, Dr. Vlad M. Iluc's research group will synthesize iron carbene complexes supported by diphosphine pincer ligands, investigating the electronic structure and reactivity of tethered and untethered...
- The National Science Foundation Division of Chemistry awarded $700,000 to the University of Notre Dame on August 1, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) to develop theoretical frameworks and computational tools for understanding light-matter interactions in complex electromagnetic environments. Hsing-Ta Chen and his research group will create a unified theoretical framework bridging semiclassical electrodynamics, cavity quantum electrodynamics, and macroscopic...
- The National Science Foundation Division of Chemistry awarded the University of Notre Dame $286,443 on August 15, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) to develop electrochemical sensor platforms for detecting and distinguishing structurally similar small molecules in complex environments. The project, titled "Integrating Nanoconfined Interfaces and Aptamer Switches for Autonomous, Electrochemical Imaging of Chemical Analogs," will create...
- Federal Project Grant Summary The National Science Foundation (NSF) Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), awarded $592,818 to the University of Notre Dame (awarded July 1, 2025, with completion scheduled for June 30, 2028) to support Professor Brandon Ashfeld's research on catalyst-controlled mechanistic divergency in cycloaddition approaches to oxindole alkaloid synthesis. The project develops novel transition-metal catalyzed synthetic...
- The National Science Foundation Division of Chemistry awarded a $499,999 Project Grant to the University of Notre Dame under the Mathematical and Physical Sciences program (CFDA 47.049) to support research on organometallic functionalization of colloidal nanocrystal surfaces for catalysis from June 1, 2022 to May 31, 2025. Under this award, Professor Emily Tsui and her research team will study the use of organometallic metal carbonyl fragments coordinated to the surfaces of semiconductor...
- The University of Notre Dame received a $480,000 Project Grant award from the National Science Foundation Division of Chemistry. The grant falls under the Mathematical and Physical Sciences program (CFDA 47.049), which aims to advance scientific knowledge and understanding in these fields. Through this three-year award beginning December 2021, the University will conduct research to create metastable clusters and assemblies of molecules and characterize their intermolecular interactions. The...
- The University of Notre Dame received a three-year, $377,179 Project Grant from the National Science Foundation Division of Chemistry under the Mathematical and Physical Sciences program (CFDA 47.049). The grant will support collaborative research to characterize and optimize nanoparticle systems functionalized with N-heterocyclic carbene ligands. As part of its mission to strengthen the nation's scientific enterprise, the NSF Mathematical and Physical Sciences program aims to increase...
- The University of Notre Dame received a $475,000 Project Grant award from the National Science Foundation Division of Chemistry. The grant is part of the NSF's Mathematical and Physical Sciences program (CFDA 47.049) to promote progress in these fields and strengthen the national scientific enterprise. Under the three-year award beginning in August 2021, the University will conduct research toward iron olefin metathesis, synthesizing and studying the reactivity of iron carbenes. The project aims...
- The University of Notre Dame received a three-year, $449,973 Project Grant from the National Science Foundation Division of Chemistry under the Mathematical and Physical Sciences program (CFDA 47.049). The grant will support research efforts to tailor the nanophotonic and nanolectronic properties of nanometals using oxide-directed syntheses from September 2021 through August 2024. As part of the Mathematical and Physical Sciences program, which aims to promote progress in these fields and...
The National Science Foundation Division of Chemistry awarded the University of Notre Dame $400,000 on August 15, 2026, under the Mathematical and Physical Sciences program (CFDA 47.049) to develop and apply computational methods for predicting enantioselectivity in metal-catalyzed reactions. Professors Olaf Wiest and Paul Helquist are advancing the Quantum Guided Molecular Mechanics (Q2MM) method by integrating artificial intelligence to predict which catalysts will selectively produce desired enantiomers in pure form before experiments begin. This computational approach replaces time-consuming trial-and-error laboratory work, reducing cost and waste while accelerating the manufacturing of high-value chemicals such as pharmaceuticals. The project incorporates collaboration with a large pharmaceutical company, providing undergraduate and graduate trainees with internship opportunities and hands-on professional development in both academic and industrial settings. Work is performed at Notre Dame in Indiana through July 31, 2028.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $400.0k | 8/11/26 |