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The most advanced D-Wave Advantage quantum annealer has 5000+ qubits,however, every qubit is connected to a small number of neighbors. As such,implementation of a fully-connected graph results in an order of magnitudereduction in qubit count. To compensate for the reduced number of qubits, onehas to rely on special heuristic software such as qbsolv, the purpose of whichis to decompose a large problem into smaller pieces that fit onto a quantumannealer. In this work, we compare the performance of two implementations ofsuch software: the original open-source qbsolv which is a part of the D-WaveOcean tools and a new Mukai QUBO solver from Quantum Computing Inc. (QCI). Thecomparison is done for solving the electronic structure problem and isimplemented in a classical mode (Tabu search techniques). The Quantum AnnealerEigensolver is used to map the electronic structure eigenvalue-eigenvectorequation to a type of problem solvable on modern quantum annealers. We findthat the Mukai QUBO solver outperforms the Ocean qbsolv for all calculationsdone in the present work, both the ground and excited state calculations. Thiswork stimulates the development of software to assist in the utilization ofmodern quantum annealers.

Sampling electronic structure QUBOs with Ocean and Mukai solvers