Session: Physical Chemistry Poster:

Solving the electronic structure problem using the variational quantum eigensolver technique involves measurement of the Hamiltonian expectation value. Current hardware can perform only projective single-qubit measurements, and thus, the Hamiltonian expectation value is obtained by measuring parts of the Hamiltonian rather than the full Hamiltonian. The number of terms in the Hamiltonian grous as N⁴ , where N is the number of qubits, and thus creates a significant overhead. In this talk, I will present our recent optimization strategies for simultaneous measurement of all commuting and anti-commuting groups of the Hamiltonian terms. Also, the framework of Cartan sub-algebras (arXiv:2007.01234) that unifies these and other approaches will be presented. Based on numerical simulations for a set of molecules, it was found that the most optimal grouping technique provides scaling almost linear in N for the number of separately measurable groups.

Prof. Artur Izmaylov

Associate Professor, University of Toronto

Appearances