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The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are…

量子物理 · 物理学 2020-02-12 Kosuke Mitarai , Yuya O. Nakagawa , Wataru Mizukami

Quantum algorithms are prominent in the pursuit of achieving quantum advantage in various computational tasks. However, addressing challenges, such as limited qubit coherence and high error rate in near-term devices, requires extensive…

量子物理 · 物理学 2024-07-31 Julián Ferreiro-Vélez , Iñaki Iriarte-Zendoia , Yue Ban , Xi Chen

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

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

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

Quantum computers have the potential to deliver speed-ups for solving certain important problems that are intractable for classical counterparts, making them a promising avenue for advancing modern computation. However, many quantum…

量子物理 · 物理学 2025-12-23 Kang-Min Hu , Min Namkung , Hyang-Tag Lim

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

量子物理 · 物理学 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

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…

We perform a series of calculations using simulated QPUs, accelerated by the NVIDIA CUDA-Q platform, focusing on a molecular analog of an amine-functionalized metal-organic framework (MOF), a promising class of materials for CO$_2$ capture.…

化学物理 · 物理学 2025-12-16 Jonathan R. Owens , Marwa H. Farag , Pooja Rao , Annarita Giani

Recent practical approaches for the use of current generation noisy quantum devices in the simulation of quantum many-body problems have been dominated by the use of a variational quantum eigensolver (VQE). These coupled quantum-classical…

量子物理 · 物理学 2021-09-15 Hongxiang Chen , Max Nusspickel , Jules Tilly , George H. Booth

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate a variational quantum eigensolver (VQE) with a reduction in the…

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 emerging field of quantum simulation of many-body systems is widely recognized as a very important application of quantum computing. A crucial step towards its realization in the context of many-electron systems requires a rigorous…

原子物理 · 物理学 2021-08-23 Sumeet , V. S. Prasannaa , B. P. Das , B. K. Sahoo

Variational Quantum Algorithms (VQAs) provide a promising framework for tackling complex optimization problems on near-term quantum hardware. Here, we demonstrate that hybrid qubit--qumode quantum devices offer an efficient route to solving…

Hybrid algorithms that combine quantum and classical resources have become commonplace in quantum computing. The variational quantum eigensolver (VQE) is routinely used to solve prototype problems. Currently, hybrid algorithms use no more…

量子物理 · 物理学 2024-08-27 Manpreet Singh Jattana

Ab initio electronic excited state calculations are necessary for the quantitative study of photochemical reactions, but their accurate computation on classical computers is plagued by prohibitive scaling. The Variational Quantum Deflation…

The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…

化学物理 · 物理学 2026-03-24 Yanxian Tao , Lingyun Wan , Jie Liu

In the noisy-intermediate-scale-quantum era, Variational Quantum Eigensolver (VQE) is a promising method to study ground state properties in quantum chemistry, materials science, and condensed physics. However, general quantum eigensolvers…

量子物理 · 物理学 2023-09-27 Yusen Wu , Zigeng Huang , Jinzhao Sun , Xiao Yuan , Jingbo B. Wang , Dingshun Lv

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…

量子物理 · 物理学 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

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