Project Grant DESC0023550

The National Science Foundation awarded a $299,569 EAGER (EArly-concept Grants for Exploratory Research) Project Grant to the University of Rochester to develop an approach that leverages large language models and artificial intelligence to accelerate the discovery of earth-abundant, active, and selective catalysts for the reverse water-gas shift reaction. The project aims to demonstrate that language-based representations can be universally applied to materials discovery processes expressed...

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 $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...

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...

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...

This $431,454 Project Grant award from the National Science Foundation's (NSF) Division of Chemistry was provided to The Johns Hopkins University and the University of Massachusetts, Lowell to study the design of catalytic materials for electrochemical synthesis of organonitrogen compounds. The overarching goal is to develop a fundamental understanding of electrochemical carbon-nitrogen coupling using metal-organic frameworks called boron imidazolate frameworks (BIFs) as the catalyst platform....

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 awarded Domcat Technologies LLC a $255,551 Project Grant under the NSF Technology, Innovation, and Partnerships program (CFDA 47.084) to develop scalable synthesis routes for durable, low-platinum-content fuel cell catalysts and membrane electrode assemblies. The goal of the project is to demonstrate a commercially viable catalyst technology for hydrogen fuel cells through nanoengineering the metal composition and synthesis scalability of catalysts containing a...

This $255,904 National Science Foundation Technology, Innovation, and Partnerships award to Mattiq Inc. supports the development of a high-throughput nanocatalyst synthesis and screening platform to accelerate the discovery of electrocatalysts for broad decarbonization. The platform aims to rapidly search vast materials spaces to identify higher performance electrocatalyst materials through proprietary megalibrary technology. This enables the rapid synthesis of tens of thousands of unique,...

This National Science Foundation (NSF) project grant under CFDA program 47.041 "Engineering" will develop new computational modeling methods to examine electrocatalytic reactions relevant to clean energy technologies such as hydrogen fuel cells, water electrolysis, and carbon dioxide conversion. The $561,518 award will integrate density functional theory (DFT) and classical molecular dynamics (MD) simulations to predict how changes to the metal catalyst or electrolyte composition...