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The variational principle serves as a fundamental framework for describing equilibrium states of physical systems via the minimization or extremization of an energy-like functional. While quantum algorithms have demonstrated promising…

Quantum Physics · Physics 2025-08-26 Katsuhiro Endo , Kazuaki Z. Takahashi

We introduce a new class of generative quantum-neural-network-based models called Quantum Hamiltonian-Based Models (QHBMs). In doing so, we establish a paradigmatic approach for quantum-probabilistic hybrid variational learning, where we…

Quantum Physics · Physics 2019-10-07 Guillaume Verdon , Jacob Marks , Sasha Nanda , Stefan Leichenauer , Jack Hidary

Variational quantum eigensolver (VQE), which attracts attention as a promising application of noisy intermediate-scale quantum devices, finds a ground state of a given Hamiltonian by variationally optimizing the parameters of quantum…

Quantum Physics · Physics 2022-05-12 Fumiyoshi Kobayashi , Kosuke Mitarai , Keisuke Fujii

Hybrid quantum-classical algorithms have been proposed as a potentially viable application of quantum computers. A particular example - the variational quantum eigensolver, or VQE - is designed to determine a global minimum in an energy…

Quantum Physics · Physics 2020-08-05 Alexey Uvarov , Jacob Biamonte , Dmitry Yudin

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…

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…

Quantum Physics · Physics 2024-10-30 Adam Hutchings , Eric Yarnot , Xinpeng Li , Qiang Guan , Ning Xie , Shuai Xu , Vipin Chaudhary

Scalable quantum algorithms for the simulation of quantum many-body systems in thermal equilibrium are important for predicting properties of quantum matter at finite temperatures. Here we describe and benchmark a quantum computing version…

Quantum Physics · Physics 2023-09-20 João C. Getelina , Niladri Gomes , Thomas Iadecola , Peter P. Orth , Yong-Xin Yao

We simulate a long-range extended Ising model in one dimension using a hybrid quantum algorithm, namely Variational Quantum Eigensolver (VQE). In this quantum simulation, we investigate how quantum resources scale with system size and…

Quantum Physics · Physics 2026-04-21 Tanya Keshari , Debasis Sadhukhan

There has been an increasing research focus on quantum algorithms for condensed matter systems recently, particularly on calculating energy band structures. Here, we propose a quantum algorithm, the powered full quantum eigensolver(P-FQE),…

Materials Science · Physics 2023-08-08 Bozhi Wang , Jingwei Wen , Jiawei Wu , Haonan Xie , Fan Yang , Shijie Wei , Gui-lu Long

The study and prediction of chemical reactivity is one of the most important application areas of molecular quantum chemistry. Large-scale, fully error-tolerant quantum computers could provide exact or near-exact solutions to the underlying…

Quantum Physics · Physics 2019-09-12 Michael Kühn , Sebastian Zanker , Peter Deglmann , Michael Marthaler , Horst Weiß

The development of quantum algorithms and their application to quantum chemistry has introduced new opportunities for solving complex molecular problems that are computationally infeasible for classical methods. In quantum chemistry, the…

Quantum Physics · Physics 2025-08-18 Fabio Tarocco , Davide Materia , Leonardo Ratini , Leonardo Guidoni

The variational quantum eigensolver (VQE) and its variants, which is a method for finding eigenstates and eigenenergies of a given Hamiltonian, are appealing applications of near-term quantum computers. Although the eigenenergies are…

Quantum Physics · Physics 2020-02-12 Kosuke Mitarai , Yuya O. Nakagawa , Wataru Mizukami

We propose a variational quantum eigensolver (VQE) algorithm that uses a fault-tolerant gate-set, and is hence suitable for implementation on a future error-corrected quantum computer. VQE quantum circuits are typically designed for…

Quantum Physics · Physics 2023-03-09 Hasan Sayginel , Francois Jamet , Abhishek Agarwal , Dan E. Browne , Ivan Rungger

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

A balanced description of both static and dynamic correlations in electronic systems with nearly degenerate low-lying states presents a challenge for multi-configurational methods on classical computers. We present here a quantum algorithm…

This paper introduces Witnessed Quantum Time Evolution (WQTE), a novel quantum algorithm for efficiently computing the eigen-energy spectra of arbitrary quantum systems without requiring eigenstate preparation-a key limitation of…

Quantum Physics · Physics 2026-03-19 Qing-Xing Xie , Zidong Lin , Yun-Long Liu , Yan Zhao

This article introduces a novel approach to perform the simulation of a single qubit quantum algorithm using laser beams. Leveraging the polarization states of photonic qubits, and inspired by variational quantum eigensolvers, we develop a…

Hybrid quantum-classical approaches offer potential solutions to quantum chemistry problems, yet they often manifest as constrained optimization problems. Here, we explore the interconnection between constrained optimization and generalized…

Quantum Physics · Physics 2025-03-27 Muqing Zheng , Bo Peng , Ang Li , Xiu Yang , Karol Kowalski

The Variational Quantum Eigensolver (VQE) is a promising quantum algorithm for applications in chemistry within the Noisy Intermediate-Scale Quantum (NISQ) era. The ability for a quantum computer to simulate electronic structures with high…

Fluctuation theorems provide a correspondence between properties of quantum systems in thermal equilibrium and a work distribution arising in a non-equilibrium process that connects two quantum systems with Hamiltonians $H_0$ and…