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Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…

量子物理 · 物理学 2025-02-04 Kim A. Nicoli , Luca J. Wagner , Lena Funcke

Variational quantum eigensolver (VQE) for electronic structure calculations is believed to be one major potential application of near term quantum computing. Among all proposed VQE algorithms, the unitary coupled cluster singles and doubles…

量子物理 · 物理学 2020-10-13 Rongxin Xia , Sabre Kais

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…

量子物理 · 物理学 2023-10-20 Abid Khan , Bryan K. Clark , Norm M. Tubman

Accurate and scalable methods for computational quantum chemistry can accelerate research and development in many fields, ranging from drug discovery to advanced material design. Solving the electronic Schrodinger equation is the core…

We report the experimental resource-efficient implementation of the variational quantum eigensolver (VQE) using four-dimensional photonic quantum states of single-photons. The four-dimensional quantum states are implemented by utilizing…

Dynamical response functions are fundamental quantities to describe the excited-state properties in quantum many-body systems. Quantum algorithms have been proposed to evaluate these quantities by means of quantum phase estimation (QPE),…

量子物理 · 物理学 2024-08-27 Rei Sakuma , Shu Kanno , Kenji Sugisaki , Takashi Abe , Naoki Yamamoto

The computation of excited electronic states is an important application for quantum computers. In this work, we simulate the excited state spectra of four aromatic heterocycles on IBM superconducting quantum computers, focusing on active…

量子物理 · 物理学 2023-09-19 Maria A. Castellanos , Mario Motta , Julia E. Rice

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…

量子物理 · 物理学 2021-09-15 Hongxiang Chen , Max Nusspickel , Jules Tilly , George H. Booth

Variational quantum algorithms have been one of the most intensively studied applications for near-term quantum computing applications. The noisy intermediate-scale quantum (NISQ) regime, where small enough algorithms can be run…

量子物理 · 物理学 2023-01-19 Sebastian Brandhofer , Simon Devitt , Ilia Polian

Recently, an adaptive variational algorithm termed Adaptive Derivative-Assembled Pseudo-Trotter ansatz Variational Quantum Eigensolver (ADAPT-VQE) has been proposed by Grimsley et al. (Nat. Commun. 10, 3007) while the number of measurements…

量子物理 · 物理学 2021-07-28 Jie Liu , Zhenyu Li , Jinlong Yang

The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…

量子物理 · 物理学 2026-03-20 John Kerfoot , David Schaich , Emanuele Mendicelli

We propose an excited-state molecular dynamics simulation method based on variational quantum algorithms at a computational cost comparable to that of ground-state simulations. We utilize the feature that excited states can be obtained as…

化学物理 · 物理学 2023-03-02 Hirotoshi Hirai

Quantum Phase Estimation (QPE) is a cornerstone algorithm in quantum computing, with applications ranging from integer factorization to quantum chemistry simulations. However, the resource demands of standard QPE, which require a large…

量子物理 · 物理学 2026-03-24 Alok Shukla , Prakash Vedula

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

量子物理 · 物理学 2026-01-16 Rylan Malarchick , Ashton Steed

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…

量子物理 · 物理学 2026-02-19 Giuseppe Clemente , Marco Intini

Molecular simulations with the variational quantum eigensolver (VQE) are a promising application for emerging noisy intermediate-scale quantum computers. Constructing accurate molecular ans\"atze that are easy to optimize and implemented by…

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…

量子物理 · 物理学 2026-05-04 Yi-Hua Lai , John P. T. Stenger , Gloria Bazargan , Igor V. Schweigert , Daniel Gunlycke

The rapid progress in quantum computing has opened up new possibilities for tackling complex scientific problems. Variational quantum eigensolver (VQE) holds the potential to solve quantum chemistry problems and achieve quantum advantages.…

量子物理 · 物理学 2024-03-08 Linghua Zhu , Senwei Liang , Chao Yang , Xiaosong Li

Quantum computing is an advanced area of computing that leverages the principles of quantum mechanics. Quantum computing holds the potential to revolutionize various fields by handling problems that are currently intractable for classical…

量子物理 · 物理学 2024-10-28 Xiaoan Lin

The computation of electronic excited states and real-time quantum dynamics of many-fermion systems is among the most promising applications of near-term quantum computing. In this work, we generalize the reinforcement learning contracted…

量子物理 · 物理学 2026-05-19 Jiaji Zhang , Lipeng Chen , Carlos L. Benavides-Riveros
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