Project Grant 2453320
- This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) provides $301,280 to Purdue University and Louisiana State University to develop a new computational model for studying the effects of adsorbed species on catalyst surfaces during chemical reactions. The researchers are creating an "implicit" model that can more efficiently capture the impact of these adlayers on catalyst reactivity, selectivity, and...
- The National Science Foundation (NSF) awarded Purdue University a $575,000 Project Grant under the Mathematical and Physical Sciences (CFDA 47.049) federal grant program. The grant supports Professor Christopher Uyeda's research on developing multi-metallic catalysts to improve the efficiency and sustainability of chemical processes used in medicine, agriculture, and polymer chemistry. Key activities include designing new ligands that can bind multiple metals to create more active and...
- This $250,000 Project Grant award from the National Science Foundation (NSF) under the Mathematical and Physical Sciences (CFDA 47.049) program supports collaborative research to accelerate the discovery and design of dynamically evolving catalyst materials. The researchers will integrate advanced computer modeling, artificial intelligence, and machine learning with experimental methods to study how catalyst structures evolve during reactions, with the goal of developing more active, stable, and...
- 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,...
- The National Science Foundation (NSF) awarded a $320,000 Project Grant under its Mathematical and Physical Sciences (CFDA 47.049) program to Tufts University. This 3-year collaborative research project, led by principal investigators at Tufts University and Tulane University, aims to explore a novel class of dual-atom alloy catalysts for efficient and selective chemical conversions. Through a combination of computational modeling using machine learning and density functional theory, as well as...
- This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) provides $487,125 to Brigham Young University (BYU) to use computational methods and machine learning/data science techniques to design, synthesize, and test new homogeneous retro-hydroformylation catalysts that selectively generate alpha-olefins. The project, led by Dr. Daniel Ess and Dr. David Michaelis, aims to develop fundamental catalysis understanding and translate...
- The National Science Foundation Division of Chemistry awarded Purdue University a $475,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to support research titled "DINUCLEAR METALLACYCLES AS INTERMEDIATES IN CATALYSIS" from June 1, 2021 through May 31, 2024. This funding will allow Purdue University researchers to investigate dinuclear metallocycles as potential intermediates in catalytic reactions, with the goal of increasing understanding of...
- Purdue University was awarded a $299,833 Project Grant from the National Science Foundation Division of Chemistry on January 1, 2022 for research titled "NON-MEAN FIELD TREATMENTS OF SURFACE CHEMISTRY: INCORPORATING ADSORBATE-ADSORBATE INTERACTIONS INTO DETERMINISTIC KINETIC THEORIES." The research is being conducted under the NSF's Mathematical and Physical Sciences program (CFDA 47.049), which aims to promote progress in these scientific fields and strengthen the nation's...
- This Project Grant award from the National Science Foundation's (NSF) Mathematical and Physical Sciences (CFDA 47.049) program provides $314,880 to Rowan University and Long Island University to study the development of advanced catalysts that can withstand harsh industrial conditions and maintain superior performance. The catalyst research aims to improve the efficiency and durability of processes that convert carbon dioxide into valuable products like fuels and chemicals, which will support...
- The National Science Foundation (NSF), through its Mathematical and Physical Sciences program (CFDA 47.049), awarded a $600,000 project grant to Professor Neil C. Tomson of the University of Pennsylvania. The 3-year project, starting on September 1, 2025, aims to study how iron-based catalysts can selectively activate and functionalize carbon-carbon sigma bonds under mild conditions. This research will lay the groundwork for future technologies that can produce pharmaceuticals, plastics, and...
The National Science Foundation's (NSF) Mathematical and Physical Sciences program (CFDA 47.049) awarded a $288,120 project grant to Professor Hibbitts of Purdue University and Professor Plaisance of Louisiana State University. The grant supports the development of a new computational model to study the effects of adlayer formation on the surfaces of heterogeneous catalysts. The researchers are creating an "implicit" model to more efficiently simulate how the presence of other adsorbed species on catalyst surfaces can influence reaction rates, selectivity, and stability - a critical area for advancing catalytic chemical transformations across industries. In addition to the research impacts, the project will provide educational opportunities for high school and undergraduate students to learn theoretical chemistry methods. The grant period runs from August 1, 2025 to July 31, 2028.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $288.1k | 7/28/25 |