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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…

Quantum Physics · Physics 2020-10-13 Rongxin Xia , Sabre Kais

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…

In this manuscript, we calculate the ground state energy of benzene under spatial deformations by using the variational quantum eigensolver (VQE). The primary goal of the study is estimating the feasibility of using quantum computing…

Quantum Physics · Physics 2023-01-25 Wassil Sennane , Jean-Philip Piquemal , Marko J. Rančić

We compare the performance of different methodologies for finding the ground state of the molecule BeH2. We implement adaptive, tetris-adaptive variational quantum eigensolver (VQE), and entanglement forging to reduce computational resource…

Quantum Physics · Physics 2024-07-24 Tushar Pandey , Jason Saroni , Abdullah Kazi , Kartik Sharma

Variational quantum eigensolver (VQE) is a hybrid quantum-classical technique that leverages noisy intermediate scale quantum (NISQ) hardware to obtain the minimum eigenvalue of a model Hamiltonian. VQE has so far been used to simulate…

Quantum Physics · Physics 2022-08-18 Marwa H. Farag , Joydip Ghosh

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…

Variational quantum algorithms are suitable for use on noisy quantum systems. One of the most important use-cases is the quantum simulation of materials, using the variational quantum eigensolver (VQE). To optimize VQE performance, a…

Quantum Physics · Physics 2022-01-12 Waheeda Saib , Petros Wallden , Ismail Akhalwaya

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…

Quantum Physics · Physics 2021-09-07 Hikaru Wakaura , Takao Tomono

Quantum variational optimization has been posed as an alternative to solve optimization problems faster and at a larger scale than what classical methods allow. In this paper we study systematically the role of entanglement, the structure…

Quantum Physics · Physics 2021-12-30 Pablo Díez-Valle , Diego Porras , Juan José García-Ripoll

Determination of molecular energetics and properties is one of the core challenges in the near-term quantum computing. To this end, hybrid quantum-classical algorithms are preferred for Noisy Intermediate Scale Quantum (NISQ) architectures.…

Quantum Physics · Physics 2024-10-22 Dibyendu Mondal , Chayan Patra , Dipanjali Halder , Rahul Maitra

Variational Quantum Eigensolvers (VQEs) are a leading class of noisy intermediate-scale quantum (NISQ) algorithms, whose performance is highly sensitive to parameter initialization. Although recent machine learning-based initialization…

Machine Learning · Computer Science 2025-09-30 Chi Zhang , Mengxin Zheng , Qian Lou , Hui Min Leung , Fan Chen

We report on two major hybrid applications of quantum computing, namely, the quantum approximate optimisation algorithm (QAOA) and the variational quantum eigensolver (VQE). Both are hybrid quantum classical algorithms as they require…

Variational quantum eigensolvers (VQEs) are one of the most important and effective applications of quantum computing, especially in the current noisy intermediate-scale quantum (NISQ) era. There are mainly two ways for VQEs:…

Quantum Physics · Physics 2024-11-19 Xin Wang , Bo Qi , Yabo Wang , Daoyi Dong

We propose a quantum-classical hybrid algorithm to simulate the non-equilibrium steady state of an open quantum many-body system, named the dissipative-system Variational Quantum Eigensolver (dVQE). To employ the variational optimization…

Quantum Physics · Physics 2020-12-07 Nobuyuki Yoshioka , Yuya O. Nakagawa , Kosuke Mitarai , Keisuke Fujii

Quantum computing has gained a lot of attention recently, and scientists have seen potential applications in this field using quantum computing for Cryptography and Communication to Machine Learning and Healthcare. Protein folding has been…

Quantum Physics · Physics 2022-11-16 Hasan Mustafa , Sai Nandan Morapakula , Prateek Jain , Srinjoy Ganguly

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…

Quantum Physics · Physics 2019-09-12 Michael Kühn , Sebastian Zanker , Peter Deglmann , Michael Marthaler , Horst Weiß

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…

Quantum Physics · Physics 2022-04-13 Shi-Xin Zhang , Zhou-Quan Wan , Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Hong Yao

Quantum chemical calculations have attracted much attention as a practical application of quantum computing. Quantum computers can prepare superpositions of electronic states with various numbers of electrons on qubits. This special feature…

Chemical Physics · Physics 2024-03-29 Soichi Shirai , Takahiro Horiba , Hirotoshi Hirai

The ground state search problem is central to quantum computing, with applications spanning quantum chemistry, condensed matter physics, and optimization. The Variational Quantum Eigensolver (VQE) has shown promise for small systems but…

Quantum Physics · Physics 2026-03-26 Alexander Holden , Moinul Hossain Rahat , Nii Osae Osae Dade

The hardware requirements of useful quantum algorithms remain unmet by the quantum computers available today. Because it was designed to soften these requirements, the Variational Quantum Eigensolver (VQE) has gained popularity as a…

Quantum Physics · Physics 2022-12-09 Mafalda Ramôa