Grants and Contributions:
Title:
AI-assisted photovoltaic and thermoelectric materials design for energy harvesting applications
Agreement Number:
1013508
Agreement Value:
$198,000.00
Agreement Date:
Dec 1, 2023 - Mar 31, 2026
Description:
Organic semiconductors have been intensely investigated in the last two decades because of their wide variety of prominent commercial applications. The device fabrication process and performance heavily depend on the inherent properties of organic semiconductors. In this project the McGill team will collaborate with a team from the NRC and from NYMCTU on developing and applying machine learning (ML) methods and models to condense the available data on organic semiconductors into a ‘computational compass’ to guide the optimization of materials needed for high-performing, stable, and ‘green’ organic photovoltaic (OPV) and thermoelectric (TE) devices. This goal will be achieved by combining datadriven ML approaches with physics-based (but ML-enhanced) simulation that will fill in the details of manifestation of structural diversity and help encode the necessary morphology-function relationships into generative ML models which will be used to propose hypothetical materials. Synthesis, purification, and characterization protocols will be developed for the experimental realization of these novel materials. The work will be done in a close collaboration between the McGill and the NRC teams with HQP visiting the NRC facilities regularly and with the computational effort supported by the experts on the NRC team. The outcomes expected from this work include machine learning models for design of novel OPV and TE materials, new synthesis, purification, and characterization protocols, and ultimately new OPV and TE devices.
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:
Montreal, Quebec, CA H3A 2M7
Reference Number:
172-2023-2024-Q4-1013508
Agreement Type:
Grant
Report Type:
Grants and Contributions
Recipient Business Number:
119128981
Recipient Type:
Academia
Additional Information:
This agreement has been amended 1 time(s). The end date of this agreement has been modified by 120 days.
Amendment Date
Sep 15, 2025
Recipient's Legal Name:
The Royal Institution for the Advancement of Learning/McGill University
Federal Riding Name:
Ville-Marie--Le Sud-Ouest--Île-des-Soeurs
Federal Riding Number:
24077
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
Amendments: