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The Coupled Cluster (CC) method is used to compute the electronic correlation energy in atoms and molecules and often leads to highly accurate results. However, due to its single-reference nature, standard CC in its projected form fails to…

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on…

量子物理 · 物理学 2025-03-27 Akib Karim , Shaobo Zhang , Muhammad Usman

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

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 explore the application of the Variational Quantum Eigensolver (VQE) to investigate the ground state properties, particularly the entanglement entropy, of the Transverse Field Ising Model (TFIM) in one, two, and three dimensions,…

量子物理 · 物理学 2026-04-24 Ashutosh P. Tripathi , Nilmani Mathur , Vikram Tripathi

The study of spontaneous supersymmetry breaking (SSB) on the lattice is obstructed by a severe sign problem. Quantum computing provides a promising alternative approach. In particular, properties of supersymmetry relate SSB to the…

量子物理 · 物理学 2026-03-20 John Kerfoot , David Schaich , Emanuele Mendicelli

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…

量子物理 · 物理学 2022-04-13 Shi-Xin Zhang , Zhou-Quan Wan , Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Hong Yao

Quantum chemistry is a promising application for noisy intermediate-scale quantum (NISQ) devices. However, quantum computers have thus far not succeeded in providing solutions to problems of real scientific significance, with algorithmic…

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

量子物理 · 物理学 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

Quantum chemistry is one of the most promising applications for which quantum computing is expected to have significant impact. Despite considerable research in the field of electronic structure, calculating the vibrational properties of…

量子物理 · 物理学 2025-05-23 Marco Majland , Patrick Ettenhuber , Nikolaj Thomas Zinner , Ove Christiansen

The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is arguably the most popular noisy intermediate-scale quantum (NISQ) era approach to quantum chemistry. We consider the underexplored quantum annealing eigensolver…

This paper presents a hybrid quantum-classical approach to prime factorization. The proposed algorithm is based on the Variational Quantum Eigensolver (VQE), which employs a classical optimizer to find the ground state of a given…

量子物理 · 物理学 2025-03-21 Mona Sobhani , Yahui Chai , Tobias Hartung , Karl Jansen

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,…

量子物理 · 物理学 2023-07-11 Dheeraj Peddireddy , Utkarsh Priyam , Vaneet Aggarwal

We present a method to split quantum circuits of variational quantum algorithms (VQAs) to allow for parallel training and execution, that maximally exploits the limited number of qubits in hardware to solve large problem instances. We apply…

量子物理 · 物理学 2023-04-07 Michele Cattelan , Sheir Yarkoni

Variational quantum algorithms on bosonic quantum processors are an emerging paradigm for quantum chemistry calculations, exploiting the natural alignment between molecular structure and harmonic oscillator-based hardware. We introduce the…

量子物理 · 物理学 2026-04-21 Marlon F. Jost , Sijia S. Dong

Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific…

Quantum computers can be used to calculate the electronic structure and estimate the ground state energy of many-electron molecular systems. In the present study, we implement the Variational Quantum Eigensolver (VQE) algorithm, as a hybrid…

量子物理 · 物理学 2024-11-11 Hamid Reza Naeij , Erfan Mahmoudi , Hossein Davoodi Yeganeh , Mohsen Akbari

We propose a cost-efficient measurement scheme of the variational quantum eigensolver (VQE) for atomistic simulations of electronic structures based on a tight-binding (TB) theory. Leveraging the lattice geometry of a material domain, the…

量子物理 · 物理学 2025-08-28 Dongkeun Lee , Hoon Ryu

The recent developments of quantum computing present potential novel pathways for quantum chemistry, as the increased computational power of quantum computers could be harnessed to naturally encode and solve electronic structure problems.…

量子物理 · 物理学 2024-03-01 Lila Cadi Tazi , Alex J. W. Thom

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