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相关论文: A Full Quantum Eigensolver for Quantum Chemistry S…

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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

The Variational Quantum Eigensolver (VQE) is one of the most promising algorithms for current quantum devices. It employs a classical optimizer to iteratively update the parameters of a variational quantum circuit in order to search for the…

量子物理 · 物理学 2025-11-19 Chenyu Shi , Hao Wang

Materials simulations involving strongly correlated electrons pose fundamental challenges to state-of-the-art electronic structure methods but are hypothesized to be the ideal use case for quantum computing. To date, no quantum computer has…

量子物理 · 物理学 2023-01-25 Jacob M. Clary , Eric B. Jones , Derek Vigil-Fowler , Christopher Chang , Peter Graf

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…

The exact evaluation of the molecular ground state in quantum chemistry requires an exponentially increasing computational cost. Quantum computation is a promising way to overcome the exponential problem using polynomial-time quantum…

量子物理 · 物理学 2023-05-30 Changsu Cao , Jiaqi Hu , Wengang Zhang , Xusheng Xu , Dechin Chen , Fan Yu , Jun Li , Hanshi Hu , Dingshun Lv , Man-Hong Yung

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…

We develop an extension of the variational quantum eigensolver (VQE) algorithm - multistate, contracted VQE (MC-VQE) - that allows for the efficient computation of the transition energies between the ground state and several low-lying…

量子物理 · 物理学 2019-06-19 Robert M. Parrish , Edward G. Hohenstein , Peter L. McMahon , Todd J. Martinez

Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…

量子物理 · 物理学 2025-02-04 Kim A. Nicoli , Luca J. Wagner , Lena Funcke

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

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.…

量子物理 · 物理学 2024-10-22 Dibyendu Mondal , Chayan Patra , Dipanjali Halder , Rahul Maitra

Quantum computers promise to efficiently solve important problems that are intractable on a conventional computer. For quantum systems, where the dimension of the problem space grows exponentially, finding the eigenvalues of certain…

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…

Quantum computing offers a potential for algorithmic speedups for applications, such as large-scale simulations in chemistry and physics. However, these speedups must yield results that are sufficiently accurate to predict realistic…

量子物理 · 物理学 2025-01-15 Meenambika Gowrishankar , Daniel Claudino , Jerimiah Wright , Travis Humble

Variational quantum eigensolver (VQE) is a promising algorithm suitable for near-term quantum machines. VQE aims to approximate the lowest eigenvalue of an exponentially sized matrix in polynomial time. It minimizes quantum resource…

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…

量子物理 · 物理学 2021-09-07 Hikaru Wakaura , Takao Tomono

The Variational Quantum Eigensolver (VQE), as a hybrid quantum-classical algorithm, is an important tool for effective quantum computing in the current noisy intermediate-scale quantum (NISQ) era. However, the traditional hardware-efficient…

强关联电子 · 物理学 2025-11-20 Shaohui Yao , Wenyu Wang

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…

量子物理 · 物理学 2024-07-24 Tushar Pandey , Jason Saroni , Abdullah Kazi , Kartik Sharma

Recent studies to solve nuclear structure problems using quantum computers rely on a quantum algorithm known as Variational Quantum Eigensolver (VQE). In this study, we calculate the correlation energy in Helium-6 using VQE, with a…

量子物理 · 物理学 2024-06-25 Ching-Hwa Wee , Meng-Hock Koh , Yung Szen Yap

Elucidating photochemical reactions is vital to understand various biochemical phenomena and develop functional materials such as artificial photosynthesis and organic solar cells, albeit its notorious difficulty by both experiments and…

化学物理 · 物理学 2022-01-26 Keita Omiya , Yuya O. Nakagawa , Sho Koh , Wataru Mizukami , Qi Gao , Takao Kobayashi

Conventional classical solvers are commonly used for solving matrix equation systems resulting from the discretization of SIEs in computational electromagnetics (CEM). However, the memory requirement would become a bottleneck for classical…

量子物理 · 物理学 2025-12-04 Rui Chen , Teng-Yang Ma , Meng-Han Dou , Chao-Fu Wang