Reference number : 172-2023-2024-Q4-1016614, amendment number : , agreement type : G, recipient legal name : Concordia University, recipient country : CA, recipient province : QC, recipient city : Montreal|Montréal, recipient postal code : H3G 1M8, program name english : Collaborative Science, Technology and Innovation Program - Collaborative R&D Initiatives, program name french : Programme de collaboration en science, en technologie et en innovation - Initiatives de collaboration en R-D, program purpose english : 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., program purpose french : Collaborer à des programmes multipartites de recherche-développement dans le but de profiter de la synergie entre la recherche transformatrice à haut risque et à haut rendement et le potentiel de découvertes scientifiques et de percées technologiques révolutionnaires dans des secteurs d’intervention prioritaires., agreement title english : AI-Enhanced Quantum Computing Algorithms and Simulations Based on Entanglement for Advanced Quantum Defense Science and Technology Applications, agreement title french : Algorithmes et simulations de calcul quantique améliorés par l'IA basés sur l'intrication pour les applications scientifiques et technologiques avancées de la défense quantique, agreement number : 1016614, agreement value : 264000.0, agreement start date : 2024-03-26, agreement end date : 2026-03-01, description english : In quantum mechanical momentum theory, Clebsch-Gordan (CG) transforms coefficients can measure the degree of momentum entanglement in molecules. The complexity of the degree of entanglement generated by molecular orbital interaction needs to be elucidated in order to develop efficient quantum algorithms based on quantum mechanics, particularly under Coulomb and external fields. The potential of solid harmonic Gaussian orbitals (SHGOs), which are eigenfunctions of the angular momentum operator, has been largely underestimated for this purpose. Using SHGOs, Concordia University (CU) aims to develop an atom-centred angular momentum basis, a projection operator of c fermions acting on spherical harmonics. Compared with the existing tensor hypercontraction (THC) method, this new approach could overcome the need for computationally intensive density adjustment. In the orthogonal, unitary angular momentum basis, we can diagonalize the Coulomb operator. CU can derive a highly efficient quantum algorithm for simulating the electronic Hamiltonian using spherical harmonics as the projection function. The total number of atom-centred angular momentum basis functions is smaller than that of the atomic basis of an original molecular Hamiltonian. This new angular momentum algorithm can achieve O(N) scaling and reduce T complexity by several orders of magnitude compared with state-of-the-art THC methods. Integrating quantum simulation and machine learning into the project enables the team to use available NISQ devices and more mature classical computing techniques using GPUs and CPUs. The strategy involves increasing the complexity of the molecular systems generated as larger quantum computing systems are targeted., description french : Algorithmes et simulations de calcul quantique améliorés par l'IA basés sur l'intrication pour les applications scientifiques et technologiques avancées de la défense quantique, expected results english : 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., expected results french : À court terme, les résultats prévus seront des collaborations renforcées entre l'industrie, le milieu universitaire et le gouvernement pour soutenir l'excellence en recherche. À moyen terme, les résultats attendus seront le développement de nouvelles technologies potentiellement perturbatrices avec des collaborateurs. À long terme, trouver des solutions collaboratives aux défis des politiques publiques et créer des systèmes d'innovation plus solides., additional information english : nan, additional information french : nan, owner organization : nrc-cnrc, owner organization title : National Research Council Canada | Conseil national de recherches Canada