Grants and Contributions:

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Title:

Realizing the Potential of AI/ML to Guide Experimental Discovery of Acid-Stable and PGM-Free OER Catalysts.

Agreement Number:

971729

Agreement Value:

$165,392.00

Agreement Date:

Apr 1, 2021 - Mar 31, 2023

Description:

The Project is a collaboration between Carnegie Mellon University, the University of Toronto, and the National Research Council to develop and apply data-driven and machine learning methods for the experimental discovery of new acid-stable materials promoting the oxygen evolution reaction. Specifically, the collaborative Project will seek to develop the necessary datasets and methods to investigate an important class of candidate materials: mixed metal oxides. There will be investigation of generative models to improve the relevance of these and to accelerate experimental testing methods. This will require experimental synthesis, characterization, and testing of a small number of candidate materials. Carnegie Mellon University will screen bimetallic or multicomponent oxide materials using high-throughput calculations. It will also develop and apply graph convolution models to predict stability under reaction conditions. Materials that are predicted to be the most active will be selected for further detailed calculations on potential activity, and provided to experimental collaborators at the University of Toronto.

Organization:

National Research Council Canada

Expected Results:

In the short term, anticipated outcomes will be strengthened collaborations across industry, academia, and government to support research excellence. In the medium term, anticipated outcomes will be the development of new and potentially disruptive technologies with collaborators. In the long term, find collaborative solutions to public policy challenges and create stronger innovation systems.

Location:

Pittsburgh, US

Reference Number:

172-2021-2022-Q1-971729

Agreement Type:

Contribution

Report Type:

Grants and Contributions

Recipient Type:

Academia

Recipient's Legal Name:

Carnegie Mellon University

Program:

Collaborative Science, Technology and Innovation Program - Collaborative R&D Initiatives

Program Purpose:

Collaborate on multiparty research and development programs to catalyze transformative, high-risk, high-reward research with the potential for game-changing scientific discoveries and technological breakthroughs in priority areas.

NAICS Code:

541710 - R&D in the physical, engineering and life sciences