Grants and Contributions:
Title:
Hybrid quantum-classical computing for quantum chemistry and machine learning
Agreement Number:
1016014
Agreement Value:
$323,400.00
Agreement Date:
Mar 20, 2024 - Nov 30, 2026
Description:
Current efforts to design materials computationally face two bottlenecks: accuracy and speed. The workhorse density-functional theory (DFT) computational methods are time-consuming and of limited accuracy for strongly correlated systems like the metal-oxides commonly used for catalysis. (Classical) Machine learning (ML) is showing great promise in reducing the number of expensive DFT calculations in the design process. Quantum computing (focusing on hybrid approaches using Noisy Intermediate Scale Quantum (NISQ) computers for parts of the problem) is showing great promise to contribute to opening both bottlenecks by facilitating the use of more accurate quantum chemical methods and accelerating machine-learning approaches beyond the possibilities of classical ML. The proposed research will be directed along two complementary streams: i) quantum computing for quantum chemistry and ii) quantum machine learning.
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:
Calgary, Alberta, CA T2N 1N4
Reference Number:
172-2023-2024-Q4-1016014
Agreement Type:
Grant
Report Type:
Grants and Contributions
Recipient Business Number:
108102864
Recipient Type:
Academia
Additional Information:
This agreement has been amended 1 time(s). The end date of this agreement has been modified by 245 days.
Amendment Date
Sep 2, 2025
Recipient's Legal Name:
The Governors of the University of Calgary
Federal Riding Name:
Calgary Confederation
Federal Riding Number:
48005
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: