Grants and Contributions:

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Title:

Grid-based quantum dynamics on quantum computing devices.

Agreement Number:

1014944

Agreement Value:

$292,956.00

Agreement Date:

Feb 23, 2024 - Apr 30, 2027

Description:

The aim of the project is to develop a novel grid-based formalism for solving the Schrodinger equation of quantum chemistry on a digital quantum device, with potential extensions to other multivariate partial differential equations. A major focus of applications is the dynamics of strongly correlated molecular systems beyond the Born Oppenheimer approximation. Using the novel realspace qubit representation of the Hamiltonian, based on a quantum equivalent of mechanical binary odometer, variational and Hamiltonian simulation protocols can be developed in analogy with the Ritz-Galerkin formalism for the solution of partial differential equations on classical grids. Numerical simulations of the quantum dynamics of vibronically coupled systems will be benchmarked against classical simulations generated at NRC.

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:

Fredericton, New Brunswick, CA E3B 5A3

Reference Number:

172-2023-2024-Q4-1014944

Agreement Type:

Grant

Report Type:

Grants and Contributions

Recipient Business Number:

108162025

Recipient Type:

Academia

Recipient's Legal Name:

The University of New Brunswick

Federal Riding Name:

Fredericton

Federal Riding Number:

13003

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