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 $335,964 Project Grant awarded by the National Science Foundation (NSF) Engineering program (CFDA 47.041) is funding a collaborative research project at Louisiana Tech University to study the stability and coke-resistance of platinum (Pt) nanolayer catalysts supported on molybdenum-titanium-carbon (MXene) materials. The goal is to advance the basic science of heterogeneous catalysis and provide insights to improve catalyst formulations and designs for the energy-intensive process of...
This Project Grant award, valued at $643,347.00, was provided by the National Science Foundation (NSF) under the Mathematical and Physical Sciences (CFDA 47.049) federal grant program. The principal investigator, Tibor Szilvási of the University of Alabama-Tuscaloosa, is focusing on developing computational tools to empower the design of efficient molecular catalysts. The research aims to use high-performance computational screening to identify optimal catalyst structures, compositions, and...
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 $205,962 Research Infrastructure Improvement Track-4 EPSCoR Research Fellows project, awarded by the National Science Foundation (NSF) Integrative Activities (CFDA 47.083) program, will enable researchers at the University of Alabama Tuscaloosa to develop a fundamental understanding of the structure and catalytic properties of zeolite-encapsulated metal-phthalocyanine complexes. The research team will utilize state-of-the-art synchrotron-based X-ray techniques at the SLAC National...
This National Science Foundation (NSF) Engineering program Project Grant, awarded to The Trustees of Princeton University, provides $460,965 to support research on engineering circular hydrocarbon reactions in zeolite-based catalysts. The project aims to investigate key design factors that affect the efficiency, selectivity, and stability of zeolite catalysts for the breakdown and remanufacturing of waste polyolefin plastics into valuable fuels and chemicals. The research focuses on developing...
The National Science Foundation Division of Chemical, Bioengineering, Environmental, and Transport Systems awarded a $597,273 Project Grant to the Rector & Visitors of the University of Virginia to develop computational molecular models and theory predicting the dynamics of agglomeration and redispersion of metals supported by zeolites. This project, funded under the NSF Engineering program (CFDA 47.041), will provide guidance on engineering deactivation resistant zeolites used widely in the...
This federal Project Grant award in the amount of $328,132 was provided by the National Science Foundation's (NSF) Engineering program (CFDA 47.041) to The University of Akron. The project investigates a novel catalyst design to break down polyolefin-based plastics (e.g., polyethylene or polypropylene) into smaller molecules that can be used as building blocks for either the remanufacture of polymeric materials or the production of commodity chemicals. The project aims to control the particle...
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 $600,000 Project Grant under the Mathematical and Physical Sciences program (CFDA 47.049) to the University of Alabama to study the development of nickel catalysts for the conversion of carbon dioxide to fuel precursors and organic building blocks for pharmaceutical products. The funding supports 1) systematic modification of new nickel and cobalt catalysts to improve their activity for reactions with carbon dioxide, 2) spectroscopic and...