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In this paper, we propose a novel and powerful method to harness Bayesian optimization for Variational Quantum Eigensolvers (VQEs) -- a hybrid quantum-classical protocol used to approximate the ground state of a quantum Hamiltonian.…

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) is promising to show quantum advantage on near-term noisy-intermediate-scale quantum (NISQ) computers. One central problem of VQE is the effect of noise, especially the physical noise on realistic…

Quantum Physics · Physics 2021-09-30 Jinfeng Zeng , Zipeng Wu , Chenfeng Cao , Chao Zhang , Shiyao Hou , Pengxiang Xu , Bei Zeng

Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…

We perform a systematic investigation of variational forms (wave function Ans\"atze), to determine the ground state energies and properties of two-dimensional model fermionic systems on triangular lattices (with and without periodic…

Observing rapid developments of both the number of qubits and quantum volume, especially with recent advances in ion-trap quantum computers, it is no doubt that Fault-Tolerant-Quantum-Computer (FTQC) will be realized in the near future.…

Quantum Physics · Physics 2023-05-18 Hikaru Wakaura , Andriyan Bayu Suksmono

The adaptive derivative-assembled problem-tailored variational quantum eigensolver (ADAPT-VQE) is one of the most widely used algorithms for electronic structure calculations in quantum computers. It adaptively selects operators based on…

Chemical Physics · Physics 2025-08-29 Nonia Vaquero-Sabater , Abel Carreras , David Casanova

The variational quantum eigensolver (VQE) is a promising algorithm for demonstrating quantum advantage in the noisy intermediate-scale quantum (NISQ) era. However, optimizing VQE from random initial starting parameters is challenging due to…

Quantum Physics · Physics 2023-10-20 Abid Khan , Bryan K. Clark , Norm M. Tubman

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…

Quantum Physics · Physics 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta

Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…

Quantum Physics · Physics 2025-10-28 Zakaria Boutakka , Nouhaila Innan , Muhammed Shafique , Mohamed Bennai , Z. Sakhi

Most literature in the Variational Quantum Eigensolver (VQE) algorithm focuses on finding the ground state of a physical system, by minimizing a quantum-computed cost-function. When excited states are required, the cost-function is usually…

Quantum Physics · Physics 2022-04-12 Kyle Sherbert , Marco Buongiorno Nardelli

Variational quantum algorithms have shown promise in numerous fields due to their versatility in solving problems of scientific and commercial interest. However, leading algorithms for Hamiltonian simulation, such as the Variational Quantum…

Quantum Physics · Physics 2020-01-27 Arthur G. Rattew , Shaohan Hu , Marco Pistoia , Richard Chen , Steve Wood

Efficient ground state search is fundamental to advancing combinatorial optimization problems and quantum chemistry. While the Variational Imaginary Time Evolution (VITE) method offers a useful alternative to Variational Quantum Eigensolver…

Quantum Physics · Physics 2026-04-10 Ryo Suzuki , Shohei Watabe

Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…

Quantum Physics · Physics 2023-09-06 Jinao Wang , Rimika Jaiswal

Classical simulation of molecular systems is limited by exponential scaling, a hurdle quantum algorithms like Variational Quantum Eigensolvers (VQEs) aim to overcome. Although ADAPT-VQE enhances VQEs by dynamically building ans\"atze, it…

Quantum Physics · Physics 2025-06-23 Tatiana A. Bespalova , Oumaya Ladhari , Guido Masella

In the era of noisy intermediate-scale quantum (NISQ), variational quantum circuits (VQCs) have been widely applied in various domains, demonstrating the potential advantages of quantum circuits over classical models. Similar to classic…

Quantum Physics · Physics 2025-08-26 Jun Zhuang , Jack Cunningham , Chaowen Guan

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…

Quantum Physics · Physics 2022-12-07 Yasutaka Nishida , Fumihiko Aiga

This work explores the potential of the Variational Quantum Eigensolver in solving Dynamic Portfolio Optimization problems surpassing the 100 qubit utility frontier. We systematically analyze how to scale this strategy in complexity and…

Here we present a quantum algorithm for clustering data based on a variational quantum circuit. The algorithm allows to classify data into many clusters, and can easily be implemented in few-qubit Noisy Intermediate-Scale Quantum (NISQ)…

Quantum Physics · Physics 2024-01-08 Pablo Bermejo , Roman Orus

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…

Quantum Physics · Physics 2020-03-18 Dan-Bo Zhang , Tao Yin
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