Izmaylof

Artur Izmaylov (University of Tronto)
Optimizing Quantum Algorithms for Next-Generation Quantum Chemistry
21 August 2025 (Tue) 15:00-16:00 Science and Technology Research Building #4 807 Seminar Room
Abstract
Quantum chemistry problem is one of the attractive targets for demonstrating quantum advantage of quantum computing technology. Having strongly correlated systems as the main target, I would like to discuss what new classical computing techniques need to be developed to help quantum computing algorithms to solve the electronic structure problem. Encoding the electronic Hamiltonian in the second quantized form on a quantum computer is not a trivial problem, and its efficiency can become a bottleneck for the entire quantum solution. Dealing with this Hamiltonian can be facilitated by partitioning it into a sum of fragments diagonalizable using rotations from either small Lie groups or the Clifford group. These fragments are convenient for performing various algebraic manipulations required in circuit compiling and quantum measurement. I will illustrate how the Hamiltonian partitioning can be used to improve performance of the Quantum Phase Estimation (QPE) algorithm. Another challenge that will be discussed is a recent approach to certify that an initial state for QPE has a significant overlap with the eigenstate of interest.