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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…

In this manuscript, we calculate the ground state energy of benzene under spatial deformations by using the variational quantum eigensolver (VQE). The primary goal of the study is estimating the feasibility of using quantum computing…

量子物理 · 物理学 2023-01-25 Wassil Sennane , Jean-Philip Piquemal , Marko J. Rančić

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

量子物理 · 物理学 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

A new basis adaptive algorithm for hybrid quantum-classical platforms is introduced to efficiently find the ground-state (gs) properties of quantum many-body systems. The method addresses limitations of many algorithms, such as Variational…

强关联电子 · 物理学 2025-12-16 Anutosh Biswas , Sayan Ghosh , Ritajit Majumdar , Mostafizur Rahaman , Manoranjan Kumar

Electronic state calculations using quantum computers are mostly based on second quantization, which is suitable for qubit representation. Another way to describe electronic states on a quantum computer is first quantization, which is…

量子物理 · 物理学 2023-06-16 Takahiro Horiba , Soichi Shirai , Hirotoshi Hirai

We introduce a variational approach for preparing low energy states of arbitrary target Hamiltonians. The protocol is defined in terms of a repeated cycle consisting of p layers of unitary gates applied to the system and ancilla "bath"…

量子物理 · 物理学 2025-10-14 Jeffrey Z. Song , Gilad Kishony , Erez Berg , Mark S. Rudner

In this paper we develop a quantum algorithm to realize finite temperature simulation on a quantum computer. As quantum computers use real-time evolution we did not use the imaginary time methods popular on classical algorithms. Instead, we…

量子物理 · 物理学 2019-11-11 Raffaele Miceli , Michael McGuigan

The variational quantum eigensolver (VQE) is one of the most promising algorithms for low-lying eigenstates calculation on Noisy Intermediate-Scale Quantum (NISQ) computers. Specifically, VQE has achieved great success for ground state…

数值分析 · 数学 2025-12-19 Hengzhun Chen , Yingzhou Li , Bichen Lu , Jianfeng Lu

Considering recent advancements and successes in the development of efficient quantum algorithms for electronic structure calculations --- alongside impressive results using machine learning techniques for computation --- hybridizing…

量子物理 · 物理学 2018-10-24 Rongxin Xia , Sabre Kais

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

The variational quantum eigensolver (VQE), a type of variational quantum algorithm, is a hybrid quantum-classical algorithm to find the lowest-energy eigenstate of a particular Hamiltonian. We investigate ways to optimize the VQE solving…

量子物理 · 物理学 2024-10-30 Adam Hutchings , Eric Yarnot , Xinpeng Li , Qiang Guan , Ning Xie , Shuai Xu , Vipin Chaudhary

We study the performance of our previously proposed Projective Quantum Eigensolver (PQE) on IBM's quantum hardware in conjunction with error mitigation techniques. For a single qubit model of H$_2$, we find that we are able to obtain…

量子物理 · 物理学 2023-10-10 Jonathon P. Misiewicz , Francesco A. Evangelista

The real world obeys quantum physics and quantum computing presents an alternative way to map physical problems to systems that follow the same laws. Such computation fundamentally constitutes a better way to understand the most challenging…

量子物理 · 物理学 2024-11-22 Elena Chachkarova , Terence Tse , Yordan Yordanov , Yao Wei , Cedric Weber

The task of estimating the ground state of Hamiltonians is an important problem in physics with numerous applications ranging from solid-state physics to combinatorial optimization. We provide a hybrid quantum-classical algorithm for…

量子物理 · 物理学 2022-02-28 Kishor Bharti , Tobias Haug

Computing electronic structures of quantum systems is a key task underpinning many applications in photonics, solid-state physics, and quantum technologies. This task is typically performed through iterative algorithms to find the energy…

量子物理 · 物理学 2026-02-03 Shaobo Zhang , Akib Karim , Harry M. Quiney , Muhammad Usman

Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a…

Quantum simulators offer the potential to utilize the quantum nature of a physical system to study another physical system. In contrast to conventional simulation, which experiences an exponential increase in computational complexity,…

量子物理 · 物理学 2024-07-24 Xuliang Du , Yang Shen , Zipeng Wu , Bei Zeng , Sen Yang

Quantum cooling, a deterministic process that drives any state to the lowest eigenstate, has been widely used from studying ground state properties of chemistry and condensed matter quantum physics, to general optimization problems.…

量子物理 · 物理学 2022-06-06 Pei Zeng , Jinzhao Sun , Xiao Yuan

Current quantum computers are limited in the number of qubits and coherence time, constraining the algorithms executable with sufficient fidelity. The variational quantum eigensolver (VQE) is an algorithm to find an approximate ground state…

量子物理 · 物理学 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem. Often, the family of variational states is not invariant…

量子物理 · 物理学 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta