Project Grant 2045550

This Project Grant award, funded by the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049), supports Professor Stefan Bernhard of Carnegie Mellon University in developing data-driven, automated methodologies to study and control light-driven catalytic processes. The $575,000 award, spanning September 2024 to August 2027, aims to advance sustainable chemistry through new approaches to photocatalytic hydrogen generation from bio-based feedstocks like...

This Project Grant award from the National Science Foundation (CFDA 47.049 - Mathematical and Physical Sciences) provides $643,347.00 to the University of Alabama-Tuscaloosa to develop computational tools that empower the design of efficient molecular catalysts. The key products and services to be delivered under this 5-year award include: Using high-performance computational screening to identify optimal catalyst structures, compositions, and kinetics to increase activity, selectivity, and...

This three-year, $219,632 Project Grant from the National Science Foundation's Division of Chemistry and Mathematical and Physical Sciences program will support the development of new base-free ruthenium-catalyzed hydrogen transfer reactions. Principal Investigator Steven Kalman of Stockton University is working to design catalysts that can add hydrogen to organic compounds under milder conditions without the need for specialized equipment or hydrogen gas storage. The goal is to simplify and...

The National Science Foundation (NSF) Division of Chemical, Bioengineering, Environmental, and Transport Systems awarded a $500,000 Project Grant to the South Dakota School of Mines and Technology for the "ECO-DESIGN OF HYDROGENATION CATALYSTS FOR OXYANION REDUCTION: THE OVERLOOKED ROLES OF NITROGEN-CONTAINING GROUPS ON THE CATALYST SUPPORTS" project. This 3-year research effort aims to characterize the structure and performance of palladium (Pd) nanoparticle catalysts immobilized on...

Under a $561,576 Project Grant award from the National Science Foundation's Division of Chemistry, Professor Nilay Hazari of Yale University is developing a fundamental understanding of how transition metal hydrides transfer hydrogen atoms to organic compounds. This knowledge is crucial for designing improved and new transition metal hydrides that can facilitate faster and more selective hydride transfer reactions, which are critical for the synthesis of fine chemicals, pharmaceuticals, and...

This collaborative research project, funded by the National Science Foundation (NSF) Division of Chemical, Bioengineering, Environmental, and Transport Systems under the Engineering program (CFDA 47.041), addresses the accelerated discovery and design of dynamically evolving catalyst material surfaces. Awarded to the University of Wisconsin–Madison on October 1, 2025, with total obligations of $902,786 through September 30, 2029, the project integrates advanced computer modeling accelerated by...

This Project Grant from the National Science Foundation Division of Chemistry, under the Mathematical and Physical Sciences program (CFDA 47.049), provides $550,000 to The Trustees of the University of Pennsylvania from July 1, 2023 to June 30, 2026. The award will support research at the University of Pennsylvania aimed at developing new base metal complexes capable of efficiently activating aliphatic C-H bonds through two complementary objectives. First, ligand scaffolds will be created to...

This Project Grant from the National Science Foundation's Division of Chemistry, totaling $499,660, will support research into elucidating the electron transfer pathways involved in photo-catalytic hydrogen generation using semiconductor nanocrystals and hydrogenase enzymes. Principal Investigator Professor Gordana Dukovic of the University of Colorado Boulder will examine how properties of quantum dot nanocrystals, such as composition, diameter, and surface chemistry, impact binding with...

Under a $529,170 award from the National Science Foundation's (NSF) Mathematical and Physical Sciences (MPS) program (CFDA 47.049), Professor Robert Paton and his research team at Colorado State University (CSU) will develop new computational workflows to accelerate the discovery and optimization of highly selective catalysts. The project aims to advance mechanistic understanding and establish new quantitative descriptors for three key catalyst and ligand classes - hydrogen-bond donors,...

This three-year, $480,000 Project Grant from the National Science Foundation's Division of Chemistry and Mathematical and Physical Sciences program will support the development of sustainable catalysts and dehydrocoupling chemistry at Arizona State University. Principal Investigator Ryan J. Trovitch will study trends in earth-abundant metal catalysts to synthesize value-added chemicals and polymers more efficiently. Initial work will target precursors for semiconductor manufacturing. The project...