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We introduce a multi-modal, multi-level quantum complex exponential least squares (MM-QCELS) method to simultaneously estimate multiple eigenvalues of a quantum Hamiltonian on early fault-tolerant quantum computers. Our theoretical analysis…

Quantum Physics · Physics 2023-10-18 Zhiyan Ding , Lin Lin

We develop holographic quantum simulation techniques to prepare correlated electronic ground states in quantum matrix product state (qMPS) form, using far fewer qubits than the number of orbitals represented. Our approach starts with a…

Strongly Correlated Electrons · Physics 2022-09-14 Daoheng Niu , Reza Haghshenas , Yuxuan Zhang , Michael Foss-Feig , Garnet Kin-Lic Chan , Andrew C. Potter

Combinatorial optimization on near-term quantum devices is a promising path to demonstrating quantum advantage. However, the capabilities of these devices are constrained by high noise or error rates. In this paper, we propose an iterative…

Quantum Physics · Physics 2022-05-12 Xiaoyuan Liu , Anthony Angone , Ruslan Shaydulin , Ilya Safro , Yuri Alexeev , Lukasz Cincio

Quantum simulation algorithms often require numerous ancilla qubits and deep circuits, prohibitive for near-term hardware. We introduce a framework for simulating quantum channels using ensembles of low-depth circuits in place of many-qubit…

Quantum Physics · Physics 2024-08-01 Joseph Peetz , Scott E. Smart , Prineha Narang

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

Quantum Physics · Physics 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

The Variational Quantum Eigensolver (VQE) is a promising algorithm for Noisy Intermediate Scale Quantum (NISQ) computation. Verification and validation of NISQ algorithms' performance on NISQ devices is an important task. We consider the…

Quantum Physics · Physics 2021-09-14 Kenneth Robbins , Peter J. Love

Recent practical approaches for the use of current generation noisy quantum devices in the simulation of quantum many-body problems have been dominated by the use of a variational quantum eigensolver (VQE). These coupled quantum-classical…

Quantum Physics · Physics 2021-09-15 Hongxiang Chen , Max Nusspickel , Jules Tilly , George H. Booth

Neural-network quantum states have been successfully used to study a variety of lattice and continuous-space problems. Despite a great deal of general methodological developments, representing fermionic matter is however still early…

Computational Physics · Physics 2020-06-24 Kenny Choo , Antonio Mezzacapo , Giuseppe Carleo

The cascaded variational quantum eigensolver (CVQE) circumvents the need for iterative communication between the quantum and classical processing units that is necessary in the conventional VQE algorithm. While CVQE offers complete freedom…

Quantum Physics · Physics 2026-05-04 Yi-Hua Lai , John P. T. Stenger , Gloria Bazargan , Igor V. Schweigert , Daniel Gunlycke

We present and open source a quantum circuit simulator tailored to chemistry applications. More specifically, our simulator can compute the Born-rule probabilities of samples obtained from circuits containing passive fermionic linear…

We use the Variational Quantum Eigensolver (VQE) as implemented in the Qiskit software package to compute the ground state energy of small molecules derived from water, H$_2$O, and hydrogen cyanide, HCN. The work aims to benchmark…

Quantum Physics · Physics 2021-07-07 P. Lolur , M. Rahm , M. Skogh , L. García-Álvarez , G. Wendin

We present a suite of "holographic" quantum algorithms for efficient ground-state preparation and dynamical evolution of correlated spin-systems, which require far-fewer qubits than the number of spins being simulated. The algorithms…

We develop analytical gradients of ground- and excited-state energies with respect to system parameters including the nuclear coordinates for the hybrid quantum/classical multistate contracted variational quantum eigensolver (MC-VQE)…

Quantum Physics · Physics 2021-10-12 Robert M. Parrish , Gian-Luca R. Anselmetti , Christian Gogolin

We propose a new approach to improve the accuracy of ground state estimates in Variational Quantum Eigensolver (VQE) algorithms by employing subspace representations with soft-coded orthogonality constraints. As in other subspace-based VQE…

Quantum Physics · Physics 2026-02-19 Giuseppe Clemente , Marco Intini

The development of Fault-Tolerant Quantum Computer (FTQC) gradually raises a possibility to implement the Quantum Phase Estimation (QPE) algorithm. However, QPE works only for normalized systems. This requires the minimum and maximum of…

Quantum Physics · Physics 2021-11-19 Hikaru Wakaura , Andriyan B. Suksmono

Most quantum algorithms designed to generate or probe properties of the ground state of a quantum many-body system require as input an initial state with a large overlap with the desired ground state. One approach for preparing such a…

We prove classical simulation hardness, under the generalized $\mathsf{P}\neq\mathsf{NP}$ conjecture, for quantum circuit families with applications in near-term chemical ground state estimation. The proof exploits a connection to particle…

Quantum Physics · Physics 2026-02-06 Oskar Leimkuhler , K. Birgitta Whaley

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on…

Quantum Physics · Physics 2025-03-27 Akib Karim , Shaobo Zhang , Muhammad Usman

The near-term utility of quantum computers is hindered by hardware constraints in the form of noise. One path to achieving noise resilience in hybrid quantum algorithms is to decrease the required circuit depth -- the number of applied…

Quantum Physics · Physics 2024-04-18 Erika Magnusson , Aaron Fitzpatrick , Stefan Knecht , Martin Rahm , Werner Dobrautz

The efficient preparation of quantum states is an important step in the execution of many quantum algorithms. In the noisy intermediate-scale quantum (NISQ) computing era, this is a significant challenge given quantum resources are scarce…

Quantum Physics · Physics 2023-02-23 Floyd M. Creevey , Charles D. Hill , Lloyd C. L. Hollenberg
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