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Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…

Quantum Physics · Physics 2024-08-27 Manpreet Singh Jattana

Due to the limitations of present-day quantum hardware, it is especially critical to design algorithms that make the best possible use of available resources. When simulating quantum many-body systems on a quantum computer, straightforward…

Quantum Physics · Physics 2021-04-07 Olivia Di Matteo , Anna McCoy , Peter Gysbers , Takayuki Miyagi , R. M. Woloshyn , Petr Navrátil

Accurate determination of ground-state energies for molecules remains a challenge in quantum chemistry and a cornerstone for progress in fields such as drug discovery and materials design. The Variational Quantum Eigensolver (VQE)…

Discretizing Helmholtz problems via finite elements yields linear systems whose efficient solution remains a major challenge for classical computation. In this paper, we investigate how variational quantum algorithms could address this…

Quantum Physics · Physics 2025-12-30 Arnaud Rémi , François Damanet , Christophe Geuzaine

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 problem of finding the ground state energy of a Hamiltonian using a quantum computer is currently solved using either the quantum phase estimation (QPE) or variational quantum eigensolver (VQE) algorithms. For precision $\epsilon$, QPE…

Quantum Physics · Physics 2019-04-16 Daochen Wang , Oscar Higgott , Stephen Brierley

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

In truncated coupled-cluster (CC) theories, non-variational and/or generally complex ground-state energies can occur. This is due to the non-Hermitian nature of the similarity transformed Hamiltonian matrix in combination with CC…

Chemical Physics · Physics 2023-09-22 Tanner Culpitt , Erik I. Tellgren , Fabijan Pavosevic

Downfolding coupled cluster (CC) techniques are powerful tools for reducing the dimensionality of many-body quantum problems. This work investigates how ground-state downfolding formalisms can target excited states using non-Aufbau…

Chemical Physics · Physics 2023-10-24 Nicholas P. Bauman

Clustering is a fundamental task for analyzing unlabeled data based solely on its underlying distribution. Spectral clustering is a clustering method that represents a dataset as a graph and uses the relationships between data points.…

Quantum Physics · Physics 2025-04-01 Hyeong-Gyu Kim , Siheon Park , June-Koo Kevin Rhee

This paper extends the energy-based version of the stochastic linearization method, known for classical nonlinear systems, to open quantum systems with canonically commuting dynamic variables governed by quantum stochastic differential…

Quantum Physics · Physics 2012-05-21 Igor G. Vladimirov , Ian R. Petersen

Quantum embedding (QE) methods such as the Ghost Gutzwiller Approximation (gGA) offer a powerful approach to simulating strongly-correlated systems, but come with the computational bottleneck of computing the ground state of an auxiliary…

Strongly Correlated Electrons · Physics 2024-03-07 Marius S. Frank , Denis G. Artiukhin , Tsung-Han Lee , Yongxin Yao , Kipton Barros , Ove Christiansen , Nicola Lanatà

This paper discusses quantum algorithms for the generator coordinate method (GCM) that can be used to benchmark molecular systems. The GCM formalism defined by exponential operators with exponents defined through generators of the Fermionic…

Quantum Physics · Physics 2024-02-14 Muqing Zheng , Bo Peng , Nathan Wiebe , Ang Li , Xiu Yang , Karol Kowalski

Current gate-based quantum computers have the potential to provide a computational advantage if algorithms use quantum hardware efficiently. To make combinatorial optimization more efficient, we introduce the Filtering Variational Quantum…

One of the most promising applications of noisy intermediate-scale quantum computers is the simulation of molecular Hamiltonians using the variational quantum eigensolver. We show that encoding symmetries of the simulated Hamiltonian in the…

Analytical and practical evidence indicates the advantage of quantum computing solutions over classical alternatives. Quantum-based heuristics relying on the variational quantum eigensolver (VQE) and the quantum approximate optimization…

Quantum Physics · Physics 2023-01-05 Sarthak Gupta , Vassilis Kekatos

Variational quantum eigensolvers (VQEs) combine classical optimization with efficient cost function evaluations on quantum computers. We propose a new approach to VQEs using the principles of measurement-based quantum computation. This…

Effective low-energy theories represent powerful theoretical tools to reduce the complexity in modeling interacting quantum many-particle systems. However, common theoretical methods rely on perturbation theory, which limits their…

Quantum Physics · Physics 2021-11-18 Laura Gentini , Alessandro Cuccoli , Leonardo Banchi

The factorized form of the unitary coupled-cluster approximation is one of the most promising methodologies to prepare trial states for strongly correlated systems within the variational quantum eigensolver framework. The factorized form of…

Quantum Physics · Physics 2022-01-05 Luogen Xu , Joseph T. Lee , J. K. Freericks

We present a variational quantum eigensolver (VQE) algorithm for the efficient bootstrapping of the causal representation of multiloop Feynman diagrams in the Loop-Tree Duality (LTD) or, equivalently, the selection of acyclic configurations…