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Variational quantum eigensolver (VQE) is promising to show quantum advantage on near-term noisy-intermediate-scale quantum (NISQ) computers. One central problem of VQE is the effect of noise, especially the physical noise on realistic…

量子物理 · 物理学 2021-09-30 Jinfeng Zeng , Zipeng Wu , Chenfeng Cao , Chao Zhang , Shiyao Hou , Pengxiang Xu , Bei Zeng

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

量子物理 · 物理学 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

Variational-Quantum-Eigensolver (VQE) method has been known as the method of chemical calculation using quantum computers and classical computers. This method also can derive the energy levels of excited states by…

量子物理 · 物理学 2021-09-07 Hikaru Wakaura , Takao Tomono

This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…

量子物理 · 物理学 2022-03-01 R. J. P. T. de Keijzer , V. E. Colussi , B. Škorić , S. J. J. M. F. Kokkelmans

Near-term quantum computers will be limited in the number of qubits on which they can process information as well as the depth of the circuits that they can coherently carry out. To-date, experimental demonstrations of algorithms such as…

化学物理 · 物理学 2023-10-18 Joel Bierman , Yingzhou Li , Jianfeng Lu

The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…

量子物理 · 物理学 2024-03-01 Lila Cadi Tazi , Alex J. W. Thom

The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules…

量子物理 · 物理学 2025-01-08 Harper R. Grimsley , Francesco A. Evangelista

Variational quantum eigensolver (VQE) solves the ground state problem of a given Hamiltonian by finding the parameters of a quantum circuit ansatz that minimizes the Hamiltonian expectation value. Among possible quantum circuit ans\"{a}tze,…

量子物理 · 物理学 2024-01-31 Chae-Yeun Park

The Variational Quantum Eigensolver (VQE) is a fundamental algorithm in quantum computing, yet a coherent geometric characterization of VQE remains missing due to fragmented analyses across fixed-ansatz and adaptive-circuit formulations. In…

量子物理 · 物理学 2026-05-28 Zhen Qin

Variational quantum eigensolver (VQE), aiming at determining the ground state energy of a quantum system described by a Hamiltonian on noisy intermediate scale quantum (NISQ) devices, is among the most significant applications of…

量子物理 · 物理学 2024-04-12 Ze-Tong Li , Fan-Xu Meng , Han Zeng , Zai-Chen Zhang , Xu-Tao Yu

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) method on a quantum computer is a well-known hybrid algorithm to solve the eigenstates and eigenvalues that uses both quantum and classical computers. This method has the potential to solve quantum…

量子物理 · 物理学 2021-10-15 Hikaru Wakaura , Takao Tomono , Shoya Yasuda

The variational quantum eigensolver (VQE) is one of the most representative quantum algorithms in the noisy intermediate-size quantum (NISQ) era, and is generally speculated to deliver one of the first quantum advantages for the…

量子物理 · 物理学 2022-04-13 Shi-Xin Zhang , Zhou-Quan Wan , Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Hong Yao

The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…

量子物理 · 物理学 2019-07-03 Oscar Higgott , Daochen Wang , Stephen Brierley

The electronic structure problem is one of the main problems in modern theoretical chemistry. While there are many already-established methods both for the problem itself and its applications like semi-classical or quantum dynamics, it…

量子物理 · 物理学 2024-10-25 Martin Beseda , Silvie Illésová , Saad Yalouz , Bruno Senjean

The Variational Quantum Eigensolver (VQE) is widely regarded as a promising algorithm for calculating ground states of quantum systems that are intractable for classical computers. This promise is typically motivated by the hope of…

量子物理 · 物理学 2026-04-13 Manuel Hagelueken , David A. Kreplin , Florian Wieland , Marco F. Huber , Marco Roth

We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the…

量子物理 · 物理学 2021-05-19 William M. Kirby , Andrew Tranter , Peter J. Love

Variational quantum eigensolver (VQE) is an efficient computational method promising chemical accuracy in electronic structure calculations on a universal-gate quantum computer. However, such a simple task as computing the electronic energy…

化学物理 · 物理学 2018-06-04 Ilya G. Ryabinkin , Scott N. Genin , Artur F. Izmaylov

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

量子物理 · 物理学 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…

量子物理 · 物理学 2026-05-07 Abel Carreras , David Casanova , Román Orús