Simon Benjamin

© 2019 authors. Published by the American Physical Society. Calculating the energy spectrum of a quantum system is an important task, for example to analyze reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state energy of molecules on near-term quantum computers. However, calculating excited state energies has attracted comparatively less attention, and it is currently unclear what the optimal method is. We introduce a low depth, variational quantum algorithm to sequentially calculate the excited states of general Hamiltonians. Incorporating a recently proposed technique [O. Higgott, D. Wang, and S. Brierley, arXiv:1805.08138], we employ the low depth swap test to energetically penalize the ground state, and transform excited states into ground states of modified Hamiltonians. We use variational imaginary time evolution as a subroutine, which deterministically propagates toward the target eigenstate. We discuss how symmetry measurements can mitigate errors in the swap test step. We numerically test our algorithm on Hamiltonians which encode 3SAT optimization problems of up to 18 qubits, and the electronic structure of the lithium hydride molecule. As our algorithm uses only low depth circuits and variational algorithms, it is suitable for use on near-term quantum hardware.

© 2018 authors. Published by the American Physical Society. It is vital to minimize the impact of errors for near-future quantum devices that will lack the resources for full fault tolerance. Two quantum error mitigation (QEM) techniques have been introduced recently, namely, error extrapolation [Y. Li and S. C. Benjamin, Phys. Rev. X 7, 021050 (2017)PRXHAE2160-330810.1103/PhysRevX.7.021050; K. Temme et al., Phys. Rev. Lett. 119, 180509 (2017)PRLTAO0031-900710.1103/PhysRevLett.119.180509] and quasiprobability decomposition [K. Temme et al., Phys. Rev. Lett. 119, 180509 (2017)PRLTAO0031-900710.1103/PhysRevLett.119.180509]. To enable practical implementation of these ideas, here we account for the inevitable imperfections in the experimentalist's knowledge of the error model itself. We describe a protocol for systematically measuring the effect of errors so as to design efficient QEM circuits. We find that the effect of localized Markovian errors can be fully eliminated by inserting or replacing some gates with certain single-qubit Clifford gates and measurements. Finally, having introduced an exponential variant of the extrapolation method we contrast the QEM techniques using exact numerical simulation of up to 19 qubits in the context of a "swap" test circuit. Our optimized methods dramatically reduce the circuit's output error without increasing the qubit count.