This National Science Foundation (NSF) grant under the Engineering (CFDA 47.041) program provides $625,184 to Virginia Polytechnic Institute & State University (Virginia Tech) to develop a design methodology for supported single-atom catalysts (SACs) - an emerging class of catalysts with exciting properties that can revolutionize industrial applications. The project embraces an integrated computational-experimental approach using machine learning to understand how the properties of the metal...
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...
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,...
This National Science Foundation (NSF) Engineering (CFDA 47.041) program award of $346,593 to the University of Texas at Austin (UT Austin) aims to develop an accurate and efficient method for large-scale simulation of heterogeneous electrocatalysis. The project will enhance machine learning force field (ML FF) capabilities by incorporating features to model electron behavior under the grand canonical ensemble (GCE) in catalysts. This expanded "E-GCE-FF" approach will be used to...
This $125,000 two-year project grant from the National Science Foundation Division of Chemical, Bioengineering, Environmental, and Transport Systems will support research and education activities under the Engineering program (CFDA 47.041). The University of Massachusetts Amherst, in collaboration with the University of Texas at El Paso, will establish an atomic-scale understanding of the interplay between structure, chemistry, catalytic activity, and mechanisms in transition metal...
The National Science Foundation (NSF) awarded a $191,000 Project Grant through its Engineering program (CFDA 47.041) to the University of Texas at El Paso (UTEP), a Hispanic-serving and minority-serving institution. This 2-year EAGER (Early-concept Grants for Exploratory Research) grant aims to establish an atomic-scale understanding of the hydrogen evolution reaction (HER) on transition metal dichalcogenide (TMD) nanocrystal catalysts through in-situ electron paramagnetic resonance (EPR)...
This $614,548 National Science Foundation project grant supports research to develop a precise synthetic method for fabricating alloy-based electrocatalysts with controlled surface compositions and facets. Funded under the NSF Engineering program (CFDA 47.041), the three-year award running from November 1, 2022 to October 31, 2025 will enable researchers at Georgia Tech to apply first-principles calculations and data science to identify optimal alloy compositions for electrocatalytic hydrogen...
The National Science Foundation (NSF) awarded a $178,496 Project Grant under the Engineering program (CFDA 47.041) to the University of California, Santa Barbara (UCSB) to conduct a collaborative research project titled "SEEING ADSORBATES ON NANOPARTICLES: A CORRELATED ATOMIC RESOLUTION IMAGING AND SPECTROSCOPY INVESTIGATION OF SUPPORTED METAL CATALYSTS." The goal of this 3-year project is to develop methods to directly observe the interaction of reactant molecules with nanoparticle...
The National Science Foundation (NSF) awarded a $453,701 Project Grant to Clarkson University under the Engineering program (CFDA 47.041) to conduct research on improving electrochemical processes for sustainable fuel and chemical production. The project aims to gain a deeper understanding of the complex chemistry occurring at the interface between electrocatalysts and liquid or polymer electrolytes. Key objectives include: 1) quantifying how solvent, ion, and surface effects influence...
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...