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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

By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

Quantum Physics · Physics 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

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

The Variational Quantum Eigensolver (VQE) is a promising hybrid algorithm, utilizing both quantum and classical computers to obtain the ground state energy of molecules. In this context, this study applies VQE to investigate the ground…

Variational Quantum algorithms, especially Quantum Approximate Optimization and Variational Quantum Eigensolver (VQE) have established their potential to provide computational advantage in the realm of combinatorial optimization. However,…

Quantum Physics · Physics 2023-07-11 Dheeraj Peddireddy , Utkarsh Priyam , Vaneet Aggarwal

The variational quantum eigensolver (VQE) is one of the most promising quantum algorithms for the near-term noisy intermediate-scale quantum (NISQ) devices. The VQE typically involves finding the minimum energy of a quantum Hamiltonian…

Quantum Physics · Physics 2024-02-16 Qidong Xu , Kanav Setia

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

The ability of near-term quantum computers to represent classically-intractable quantum states has brought much interest in using such devices for estimating the ground and excited state energies of fermionic Hamiltonians. The usefulness of…

Quantum Physics · Physics 2021-06-10 Maxwell D. Radin , Peter Johnson

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

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

Estimating the ground-state energy of a quantum system is one of the most promising applications for quantum algorithms. Here we propose a variational quantum eigensolver (VQE) \emph{Ansatz} for finding ground state configuration…

Quantum Physics · Physics 2026-02-10 Koray Aydoğan , Anna R. Spak , Kade Head-Marsden , Anthony W. Schlimgen

Portfolio optimization is a fundamental problem in finance that aims to determine the optimal allocation of assets within a portfolio to maximize returns while minimizing risk. It can be formulated as a Quadratic Unconstrained Binary…

Quantum Physics · Physics 2025-08-27 Anbang Wang , Zhonggang Lv , Zhenyuan Ma , Dunbo Cai , Zhihong Zhang

The Variational Quantum Eigensolver (VQE) is a leading hybrid quantum-classical algorithm for simulating many-body systems in the NISQ era. Its effectiveness, however, depends on the faithful preparation of eigenstates, which becomes…

Quantum Physics · Physics 2026-02-20 Ashutosh P. Tripathi , Nilmani Mathur , Vikram Tripathi

Recent advances in quantum computing devices have brought attention to hybrid quantum-classical algorithms like the Variational Quantum Eigensolver (VQE) as a potential route to practical quantum advantage in chemistry. However, it is not…

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…

Quantum Physics · Physics 2023-01-19 Sebastian Brandhofer , Simon Devitt , Ilia Polian

Quantum chemistry and materials is one of the most promising applications of quantum computing. Yet much work is still to be done in matching industry-relevant problems in these areas with quantum algorithms that can solve them. Most…

Within the evolving domain of quantum computational chemistry, the Variational Quantum Eigensolver (VQE) has been developed to explore not only the ground state but also the excited states of molecules. In this study, we compare the…

Quantum Physics · Physics 2024-06-18 I-Chi Chen , Nouhaila Innan , Suman Kumar Roy , Jason Saroni

We present a hybrid classical-quantum algorithm to solve optimization problems in current quantum computers, whose basic idea is to assist variational quantum eigensolvers (VQE) with adiabatic change of the Hamiltonian. The rational for…

Quantum Physics · Physics 2018-06-07 A. Garcia-Saez , J. I. Latorre

Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…

Quantum Physics · Physics 2026-02-24 Jungyun Lee , Daniel K. Park

As quantum computing approaches its first commercial implementations, quantum simulation emerges as a potentially ground-breaking technology for several domains, including Biology and Chemistry. However, taking advantage of quantum…

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