Term Grouping and Travelling Salesperson for Digital Quantum Simulation

Kaiwen Gui, Teague Tomesh, Pranav Gokhale, Yunong Shi, Frederic T. Chong, Margaret Martonosi, Martin Suchara

Published 2020-01-16Version 1

Digital simulation of quantum dynamics by constructing the time evolution of a Hamiltonian is the initially proposed application of quantum computing. The large number of quantum gates required for emulating the complete second quantization form of the Hamiltonian, however, makes such an approach unsuitable for near-term devices with limited gate fidelities. In addition, Trotter errors caused by noncommuting terms can accumulate and harm the overall circuit fidelity. In this paper, we propose two integrated techniques that address these problems. First, we improve the Trotter fidelity compared with previously proposed optimization by reordering Pauli terms and partitioning them into commuting families. We demonstrate the practicality of this method by constructing and evaluating quantum circuits that simulate different molecular Hamiltonians. We also provide theoretical explanations for the fidelity improvements provided by our term grouping method. Second, we describe a new gate cancellation technique that reduces the high gate counts by formulating the gate cancellation problem as a travelling salesperson problem.