Practicality of quantum adiabatic algorithm for chemistry applications

Abstract: Despite its simplicity and strong theoretical guarantees, adiabatic state preparation has received considerably less interest than variational approaches for the preparation of low-energy electronic structure states. Two major reasons for this are the large number of gates required for Trotterising time-dependent electronic structure Hamiltonians, as well as discretisation errors heating the state. We show that a recently proposed randomized algorithm, which implements exact adiabatic evolution without heating and with far fewer gates than Trotterisation, can overcome this problem. We develop three methods for measuring the energy of the prepared state in an efficient and noise-resilient manner, yielding chemically accurate results on a 4-qubit molecule in the presence of realistic gate noise, without the need for error mitigation. These findings suggest that adiabatic approaches to state preparation could play a key role in quantum chemistry simulations both in the era of noisy as well as error-corrected quantum computers.