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Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

量子物理 · 物理学 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Reflecting the increasing interest in quantum computing, the variational quantum eigensolver (VQE) has attracted much attentions as a possible application of near-term quantum computers. Although the VQE has often been applied to quantum…

量子物理 · 物理学 2022-12-07 Yasutaka Nishida , Fumihiko Aiga

Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver (VQE) algorithm. This hybrid quantum-classical algorithm aims at finding ground state solutions of molecular systems based on…

A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…

量子物理 · 物理学 2025-11-20 Koen Mesman , Yinglu Tang , Matthias Moller , Boyang Chen , Sebastian Feld

Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…

量子物理 · 物理学 2026-04-23 Yuhan Zheng , Yibin Guo , Huili Zhang , Jie Liu , Xiongzhi Zeng , Xiaoxia Cai , Zhenyu Li , Jinlong Yang

In this study, we study the Variational Quantum Eigensolver (VQE) application for the Ising model as a test bed model, in which we pivotally delved into several optimization methods, both classical and quantum, and analyzed the quantum…

量子物理 · 物理学 2025-04-21 Duc-Truyen Le , Vu-Linh Nguyen , Cong-Ha Nguyen , Quoc-Hung Nguyen , Van-Duy Nguyen

Quantum chemistry is one of the most promising applications of quantum computers in the near future. For noisy intermediate-scale quantum devices, the quantum-classical hybrid framework based on the variational quantum eigensolver (VQE) has…

Combinatorial optimization on near-term quantum devices is a promising path to demonstrating quantum advantage. However, the capabilities of these devices are constrained by high noise or error rates. In this paper, we propose an iterative…

量子物理 · 物理学 2022-05-12 Xiaoyuan Liu , Anthony Angone , Ruslan Shaydulin , Ilya Safro , Yuri Alexeev , Lukasz Cincio

Quantum simulation of chemical systems is one of the most promising near-term applications of quantum computers. The variational quantum eigensolver, a leading algorithm for molecular simulations on quantum hardware, has a serious…

量子物理 · 物理学 2019-07-16 Harper R. Grimsley , Sophia E. Economou , Edwin Barnes , Nicholas J. Mayhall

Understanding complex chemical systems -- such as biomolecules, catalysts, and novel materials -- is a central goal of quantum simulations. Near-term strategies hinge on the use of variational quantum eigensolver (VQE) algorithms combined…

量子物理 · 物理学 2023-08-02 Joshua Goings , Luning Zhao , Jacek Jakowski , Titus Morris , Raphael Pooser

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

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…

Hybrid quantum-classical adaptive Variational Quantum Eigensolvers (VQE) hold the potential to outperform classical computing for simulating many-body quantum systems. However, practical implementations on current quantum processing units…

Variational quantum eigensolver (VQE) optimizes parameterized eigenstates of a Hamiltonian on a quantum processor by updating parameters with a classical computer. Such a hybrid quantum-classical optimization serves as a practical way to…

量子物理 · 物理学 2020-03-18 Dan-Bo Zhang , Tao Yin

Variational quantum eigensolver~(VQE) typically optimizes variational parameters in a quantum circuit to prepare eigenstates for a quantum system. Its applications to many problems may involve a group of Hamiltonians, e.g., Hamiltonian of a…

量子物理 · 物理学 2021-01-19 Zhan-Hao Yuan , Tao Yin , Dan-Bo Zhang

We propose a hybrid variational quantum algorithm that has variational parameters used by both the quantum circuit and the subsequent classical optimization. Similar to the Variational Quantum Eigensolver (VQE), this algorithm applies a…

量子物理 · 物理学 2025-12-05 John P. T. Stenger , C. Stephen Hellberg , Daniel Gunlycke

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…

核理论 · 物理学 2026-01-28 Dhritimalya Roy , Somnath Nag

A family of Variational Quantum Eigensolver (VQE) methods is designed to maximize the resource of existing noisy intermediate-scale quantum (NISQ) devices. However, VQE approaches encounter various difficulties in simulating molecules of…

化学物理 · 物理学 2022-08-16 M. D. Sapova , A. K. Fedorov

Variational Quantum Algorithms (VQAs) are a class of hybrid quantum-classical algorithms that leverage on classical optimization tools to find the optimal parameters for a parameterized quantum circuit. One relevant application of VQAs is…

量子物理 · 物理学 2026-01-26 Mirko Legnini , Julian Berberich