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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

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

Molecular quantum-dot Cellular Automata (QCA) may provide low-power, high-speed computational hardware for processing classical information. Simulation and modeling play an important role in the design of QCA circuits because fully-coherent…

Quantum Physics · Physics 2025-10-15 Nischal Binod Gautam , Enrique P. Blair

The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…

Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…

Quantum Physics · Physics 2023-05-12 Maomin Qing , Wei Xie

The variational quantum eigensolver (VQE) is a hybrid quantum-classical variational algorithm that produces an upper-bound estimate of the ground-state energy of a Hamiltonian. As quantum computers become more powerful and go beyond the…

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

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…

Quantum Physics · Physics 2021-09-30 Jinfeng Zeng , Zipeng Wu , Chenfeng Cao , Chao Zhang , Shiyao Hou , Pengxiang Xu , Bei Zeng

Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The…

Quantum Physics · Physics 2025-05-15 Gabriel Marin-Sanchez , David Amaro

The variational quantum eigensolver (or VQE) uses the variational principle to compute the ground state energy of a Hamiltonian, a problem that is central to quantum chemistry and condensed matter physics. Conventional computing methods are…

We propose a modification of the Variational Quantum Eigensolver algorithm for electronic structure optimization using quantum computers, named non-unitary Variational Quantum Eigensolver (nu-VQE), in which a non-unitary operator is…

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…

Chemical Physics · Physics 2023-10-18 Joel Bierman , Yingzhou Li , Jianfeng Lu

The variational quantum eigensolver (VQE) is one of the most prominent algorithms using near-term quantum devices, designed to find the ground state of a Hamiltonian. In VQE, a classical optimizer iteratively updates the parameters in the…

Quantum Physics · Physics 2026-02-12 Chenyu Shi , Vedran Dunjko , Hao Wang

Variational quantum algorithms exploit the features of superposition and entanglement to optimize a cost function efficiently by manipulating the quantum states. They are suitable for noisy intermediate-scale quantum (NISQ) computers that…

Quantum Physics · Physics 2023-08-29 Yunya Liu , Jiakun Liu , Jordan R. Raney , Pai Wang

Classical simulation of molecular systems is limited by exponential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ans\"atze, it…

Quantum Physics · Physics 2025-06-23 Tatiana A. Bespalova , Oumaya Ladhari , Guido Masella

In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…

Quantum Physics · Physics 2026-02-04 M. R. Nirmal , Ankit Khandelwal , Manoj Nambiar , Sharma S. R. K. C. Yamijala

Variational Quantum Algorithms (VQAs) are a leading approach for near-term quantum computing but face major optimization challenges from noise, barren plateaus, and complex energy landscapes. We benchmarked more than fifty metaheuristic…

Quantum Physics · Physics 2025-09-30 Vojtěch Novák , Ivan Zelinka , Václav Snášel

Quantum algorithms offer a compelling new avenue for addressing difficult NP-complete optimization problems, such as the Generalized Assignment Problem (GAP). Given the operational constraints of contemporary Noisy Intermediate-Scale…

Quantum Physics · Physics 2025-11-05 Carlo Mastroianni , Francesco Plastina , Jacopo Settino , Andrea Vinci

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…

Quantum Physics · Physics 2024-04-12 Ze-Tong Li , Fan-Xu Meng , Han Zeng , Zai-Chen Zhang , Xu-Tao Yu

While numerical simulations are presented in most papers introducing new methods to enhance the VQE performance, comprehensive, comparative, and applied studies remain relatively rare. We present a comprehensive, yet concise guide for the…