Grants and Contributions:

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Title:

Theoretical and machine learning prediction of novel battery electrode and electrolyte materials

Agreement Number:

1022833

Agreement Value:

$338,250.00

Agreement Date:

Oct 1, 2024 - Mar 31, 2027

Description:

The main objective of this Project is to conduct a computational study of novel battery materials using computer models, simulations, and machine learning. The Recipient will perform density functional theory (DFT) simulations and machine learning to design and create proof-of-concept battery materials, including cathode and electrolyte materials. The designed materials will be screened by the Recipient to identify promising candidates for exploration in a high-throughput system, influencing the workflow development by the NRC. The role of the Recipient is to perform theoretical and machine learning calculations to predict new materials with superior properties and qualify them for further development by the NRC. The NRC will synthesize the proposed electrode and electrolyte materials and engage in an iterative loop with the Recipient to identify the best-performing materials for further development.

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:

Toronto, Ontario, CA M5S 1S8

Reference Number:

172-2024-2025-Q3-1022833

Agreement Type:

Grant

Report Type:

Grants and Contributions

Recipient Business Number:

108162330

Recipient Type:

Academia

Recipient's Legal Name:

The Governing Council of the University of Toronto

Federal Riding Name:

University--Rosedale

Federal Riding Number:

35112

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