On Symmetry Restrictions and Ansatz Expressibility in Variational Quantum Eigensolvers for Quantum Chemistry

This project aims to make quantum computers more effective at simulating the behavior of molecules, a process vital for developing new medicines and sustainable materials. Currently, quantum hardware is sensitive to “noise” and errors, which makes complex chemical calculations difficult to perform accurately. To address this, the research team is refining a method called Q-SENSE, which uses mathematical shortcuts known as “quasi-symmetries” to simplify these calculations into more manageable parts. By testing new ways to organize and group electronic data within a molecule, the project seeks to significantly reduce the computational power and time required for simulations. The University of Toronto (host) will benefit by upgrading its existing software tools with advanced mathematical insights brought from Germany, ensuring its leadership in quantum chemistry. Meanwhile, the University of Munich (home) will benefit by applying its abstract theoretical research on quantum particles to real-world industrial challenges. Ultimately, this international collaboration strengthens the research link between Canada and Europe, building the technical skills and innovative techniques necessary to lead the global transition toward practical and accessible quantum computing technology.

Faculty Supervisor:

Artur Izmaylov

Student:

Partner:

Ludwig-Maximilians-Universität München

Discipline:

Physics

Sector:

Education

University:

University of Toronto

Program: