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Current implementations of the Variational Quantum Eigensolver (VQE) technique for solving the electronic structure problem involve splitting the system qubit Hamiltonian into parts whose elements commute within their single qubit…

Quantum Physics · Physics 2019-10-08 Artur F. Izmaylov , Tzu-Ching Yen , Ilya G. Ryabinkin

Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The…

Quantum Physics · Physics 2025-05-15 Gabriel Marin-Sanchez , David Amaro

The Variational Quantum Eigensolver (VQE) is widely regarded as a promising algorithm for calculating ground states of quantum systems that are intractable for classical computers. This promise is typically motivated by the hope of…

Quantum Physics · Physics 2026-04-13 Manuel Hagelueken , David A. Kreplin , Florian Wieland , Marco F. Huber , Marco Roth

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for computing ground state energies of molecular systems. We implement VQE to calculate the potential energy surface of the hydrogen molecule (H$_2$) across…

Quantum Physics · Physics 2026-01-16 Rylan Malarchick , Ashton Steed

We present and benchmark a type of variational quantum eigensolver (VQE), which we denote $\sigma$-VQE. It is designed to target mid-spectrum eigenstates and prepare quantum many-body scar states. The approach leverages the fact that noisy…

Quantum Physics · Physics 2026-05-18 Eoin Carolan , Nathan Keenan , Gabriele Cenedese , Giuliano Benenti

In this work we integrate the variational quantum eigensolver (VQE) with the adiabatic connection (AC) method for efficient simulations of chemical problems on near-term quantum computers. Orbital optimized VQE methods are employed to…

Quantum Physics · Physics 2023-10-10 Mikuláš Matoušek , Katarzyna Pernal , Fabijan Pavošević , Libor Veis

Quantum chemistry applications on quantum computers currently rely heavily on the variational quantum eigensolver (VQE) algorithm. This hybrid quantum-classical algorithm aims at finding ground state solutions of molecular systems based on…

Mapping out phase diagrams of quantum systems using classical simulations can be challenging or intractable due to the computational resources required to simulate even small quantum systems far away from the thermodynamic limit. We…

Quantum Physics · Physics 2024-06-05 Jan Lukas Bosse , Raul Santos , Ashley Montanaro

We report the experimental resource-efficient implementation of the variational quantum eigensolver (VQE) using four-dimensional photonic quantum states of single-photons. The four-dimensional quantum states are implemented by utilizing…

Quantum computing has emerged as a promising technology for solving problems that are intractable for classical computers. In this study, we introduce quantum computing and implement the Variational Quantum Eigensolver (VQE) algorithm using…

Quantum Physics · Physics 2023-05-12 Maomin Qing , Wei Xie

Variational quantum eigensolvers (VQEs) are among the most promising quantum algorithms for solving electronic structure problems in quantum chemistry, particularly during the Noisy Intermediate-Scale Quantum (NISQ) era. In this study, we…

Quantum Physics · Physics 2026-05-07 Abel Carreras , David Casanova , Román Orús

Variational-Quantum-Eigensolver(VQE) method on a quantum computer is a well-known hybrid algorithm to solve the eigenstates and eigenvalues that uses both quantum and classical computers. This method has the potential to solve quantum…

Quantum Physics · Physics 2021-10-15 Hikaru Wakaura , Takao Tomono , Shoya Yasuda

This thesis explores the application of the Symmetry-Breaking/Symmetry-Restoration methodology on quantum computers to better approximate a Hamiltonian's ground state energy within a variational framework in many-body physics. This involves…

Quantum Physics · Physics 2023-11-10 Andres Ruiz

Variational Quantum Algorithms (VQAs) are a class of hybrid quantum-classical algorithms that leverage on classical optimization tools to find the optimal parameters for a parameterized quantum circuit. One relevant application of VQAs is…

Quantum Physics · Physics 2026-01-26 Mirko Legnini , Julian Berberich

Development of resource-friendly quantum algorithms remains highly desirable for noisy intermediate-scale quantum computing. Based on the variational quantum eigensolver (VQE) with unitary coupled cluster ansatz, we demonstrate that…

Quantum computers have an exponential speed-up advantage over classical computers. One of the most prominent utilities of quantum computers is their ability to study complex quantum systems in various fields using quantum computational…

Quantum Physics · Physics 2022-01-03 Ritu Dhaulakhandi , Bikash K. Behera

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

The variational quantum eigensolver (VQE) is one of the most promising quantum algorithms for the near-term noisy intermediate-scale quantum (NISQ) devices. The VQE typically involves finding the minimum energy of a quantum Hamiltonian…

Quantum Physics · Physics 2024-02-16 Qidong Xu , Kanav Setia

We present a novel method for improving the quantum simulation of the ground state energy of molecules. We perform a pre-processing step classically, which reduces the dimensionality of the problem by generating a custom mapping which…

Quantum Physics · Physics 2023-03-03 Kaur Kristjuhan , Mark Nicholas Jones

Using quantum devices supported by classical computational resources is a promising approach to quantum-enabled computation. One example of such a hybrid quantum-classical approach is the variational quantum eigensolver (VQE) built to…

Quantum Physics · Physics 2017-04-12 Jarrod R. McClean , Mollie E. Schwartz , Jonathan Carter , Wibe A. de Jong
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