Project Grant 2323701
- The National Science Foundation (NSF) awarded a $638,566 Project Grant under the Engineering program (CFDA 47.041) to the University of Delaware. The grant supports a collaborative research effort to develop a computational-experimental methodology using machine learning to design stable, active, and selective single-atom catalysts for industrial applications. The project aims to uncover physics-inspired descriptors to predict how the support material properties influence the stability,...
- The National Science Foundation (NSF) awarded a $291,349 Project Grant to the University of Alabama under the Engineering program (CFDA 47.041) to develop and apply advanced machine learning force fields to simulate nanoparticle catalysts under realistic reaction conditions. The goal is to elucidate the catalytic active sites and how nanoparticle shapes evolve during catalytic processes. This research will help enable more sustainable chemical manufacturing by improving the computational...
- This $431,430 National Science Foundation project grant supports the development of machine learning-aided methods to discover synthesizable, active, and stable heterogeneous catalyst materials. Funded under the NSF Engineering program (CFDA 47.041), the three-year award to the University of Michigan involves collaborating with Wayne State University to create an open-source, computer-aided workflow and tools for predicting catalyst properties beyond just activity. The project will apply density...
- Federal Grant Award Summary Under a $600,000 Project Grant awarded by the National Science Foundation (NSF) Division of Chemistry through the Mathematical and Physical Sciences program (CFDA 47.049), the University of Pennsylvania, under the direction of Professor Neil C. Tomson, is conducting fundamental research on catalytic carbon-carbon sigma-bond functionalization via metal-metal cooperativity from September 1, 2025, through August 31, 2028. The primary deliverable is the development of...
- This Project Grant award of $370,480, provided by the National Science Foundation (NSF) under the Integrative Activities program (CFDA 47.083), supports research into single-atom catalysts (SACs) supported on transition metal carbides and nitrides for the aqueous-phase reforming of methanol to produce hydrogen as a clean fuel. The key objectives of the project are: 1) investigating the stability and electronic structure of SACs on various transition metal carbides and nitrides through...
- The Pennsylvania State University (Penn State) was awarded a $300,000 National Science Foundation (NSF) Early-Concept Grant for Exploratory Research (EAGER) to investigate the elementary reactions that occur during non-oxidative coupling of methane over single-atom catalysts (SACs). This project under the NSF Directorate for Engineering (CFDA 47.041) aims to elucidate the mechanisms of carbon-carbon bond formation from alkyl halide methane surrogates at moderate temperatures (200-400°C),...
- This National Science Foundation project grant of $728,692 supports research at the University of California, Los Angeles from September 2022 through August 2025 under the Engineering program (CFDA 47.041). The university will develop machine learning methods to model the dynamic structures of platinum and nickel nanoparticles containing 20 to 200 atoms and their effects on dehydrogenation and hydrogenolysis reactions. Researchers will generate accurate interatomic potentials using neural...
- This National Science Foundation (NSF) Project Grant award, funded through the Mathematical and Physical Sciences program (CFDA 47.049), provides $424,350 to Duquesne University from September 1, 2023 to August 31, 2026. The project aims to design and discover energy-efficient, environmentally friendly, and cost-effective metal-free catalysts for the activation and conversion of small molecules, such as converting carbon dioxide to useful chemicals and fuels. The research approach combines...
- 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 federal Project Grant award from the National Science Foundation's Engineering program (CFDA 47.041) provides $374,552 to Tulane University to computationally design and experimentally validate single-atom alloy catalysts for oxidation and alkane conversion reactions. The overarching goal is to develop improved catalysts that can enhance process efficiency, economics, and reduce greenhouse gas emissions in the chemical industry. The project will employ computational screening and machine...
This Project Grant award from the National Science Foundation (NSF) Engineering program (CFDA 47.041) provides $238,249.00 to The Trustees Of The University Of Pennsylvania, doing business as Clinical Practices Of The University Of Pennsylvania. The project aims to develop a design methodology for supported single-atom catalysts (SACs) - an emerging class of catalysts that can revolutionize industrial applications but whose stability and properties are not well understood. The research will use a highly-integrated, computational-experimental approach incorporating machine learning to model how the support material and metal site properties influence catalyst performance. The work will focus on optimizing SACs for two industrially-relevant reactions: water-gas shift and hydrodeoxygenation of cresol. The outcomes are expected to provide foundational methods for designing new complex materials in silico and training the next generation of students in heterogeneous catalysis, multiscale modeling, and advanced characterization techniques. No sub-awards are planned under this grant, which runs from October 2023 through September 2027.
Mod # | Description | ReasonForModification | Federal Obligation | Date |
|---|---|---|---|---|
| Not listed | $238.2k | 9/15/23 |