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Bulletin of the American Physical Society

Energy gap calculation on near-term quantum hardware with robust phase estimation

Antonio Russo, Andrew Baczewski, Benjamin Morrison, Kenneth Rudinger

Published Mar 17, 2021• 0 citations
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Estimating the energy spectra of quantum many-body systems is a fundamental task in quantum physics, with applications ranging from chemistry to condensed matter. Algorithmic shadow spectroscopy is a recent method that leverages randomized measurements on time-evolved quantum states to extract spectral information. However, implementing accurate time evolution with low-depth circuits remains a key challenge for near-term quantum hardware. In this work, we propose a hybrid quantum-classical protocol that integrates Time Evolution via Probabilistic Angle Interpolation (TE-PAI) into the shadow spectroscopy framework. TE-PAI enables the simulation of time evolution using shallow stochastic circuits while preserving unbiased estimates through quasiprobability sampling. We construct the combined estimator and derive its theoretical properties. Through numerical simulations, we demonstrate that our method accurately resolves energy gaps and exhibits enhanced robustness to gate noise compared to first-order Trotter-based shadow spectroscopy. We further validate the protocol experimentally on up to 20 qubits using IBM quantum hardware. This makes TE-PAI shadow spectroscopy a promising tool for spectral analysis on noisy intermediate-scale quantum (NISQ) devices.
We introduce a quantum information theory-inspired method to improve the characterization of many-body Hamiltonians on near-term quantum devices. We design a new class of similarity transformations that, when applied as a preprocessing step, can substantially simplify a Hamiltonian for subsequent analysis on quantum hardware. By design, these transformations can be identified and applied efficiently using purely classical resources. In practice, these transformations allow us to shorten requisite physical circuit-depths, overcoming constraints imposed by imperfect near-term hardware. Importantly, the quality of our transformations is tunable : we define a 'ladder' of transformations that yields increasingly simple Hamiltonians at the cost of more classical computation. Using quantum chemistry as a benchmark application, we demonstrate that our protocol leads to significant performance improvements for zero and finite temperature free energy calculations on both digital and analog quantum hardware. Specifically, our energy estimates not only outperform traditional Hartree-Fock solutions, but this performance gap also consistently widens as we tune up the quality of our transformations. In short, our quantum information-based approach opens promising new pathways to realizing useful and feasible quantum chemistry algorithms on near-term hardware.
The Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum superposition of two eigenstates. Unlike QPE, QPDE is free of controlled-unitary operations, and is suitable for calculations on noisy intermediate-scale quantum (NISQ) devices. We present the implementation and verification of a novel early fault-tolerant QPDE algorithm for determining energy gaps across diverse spin system configurations using NISQ devices. The algorithm is applied to the systems described by two and three-spin Heisenberg Hamiltonians with different geometric arrangements and coupling strengths, including symmetric, asymmetric, spin-frustrated, and non-frustrated configurations. By leveraging the match gate-like structure of the time evolution operator of Heisenberg Hamiltonian, we achieve constant-depth quantum circuits suitable for NISQ hardware implementation. Our results on IBM quantum processors show remarkable accuracy ranging from 85\% to 93\%, demonstrating excellent agreement with classical calculations even in the presence of hardware noise. The methodology incorporates sophisticated quantum noise suppression techniques, including Pauli Twirling and Dynamical Decoupling, and employs an adaptive framework. Our findings demonstrate the practical viability of the QPDE algorithm for quantum many-body simulations on current NISQ hardware, establishing a robust framework for future applications.