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By exploiting the invariance of the molecular Hamiltonian by a unitary transformation of the orbitals it is possible to significantly shorter the depth of the variational circuit in the Variational Quantum Eigensolver (VQE) algorithm by…

Quantum Physics · Physics 2025-09-03 Leonardo Ratini , Chiara Capecci , Leonardo Guidoni

The variational quantum eigensolver (VQE), a variational algorithm to obtain an approximated ground state of a given Hamiltonian, is an appealing application of near-term quantum computers. The original work [A. Peruzzo et al.; \textit{Nat.…

Quantum Physics · Physics 2019-11-06 Ken M Nakanishi , Kosuke Mitarai , Keisuke Fujii

Dynamical Mean Field Theory (DMFT) is one of the powerful computational approaches to study electron correlation effects in solid-state materials and molecules. Its practical applicability is, however, limited by the quantity of numerical…

Strongly Correlated Electrons · Physics 2024-12-23 Jannis Ehrlich , Daniel Urban , Christian Elsässer

Determining the ground state of a many-body Hamiltonian is a central problem across physics, chemistry, and combinatorial optimization, yet it is often classically intractable due to the exponential growth of Hilbert space with system size.…

Quantum Physics · Physics 2026-02-24 Jungyun Lee , Daniel K. Park

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…

Quantum Physics · Physics 2023-01-24 Luca Erhart , Kosuke Mitarai , Wataru Mizukami , Keisuke Fujii

Current noisy intermediate-scale quantum (NISQ) devices remain limited in their ability to perform accurate quantum chemistry simulations due to restricted numbers of high-fidelity qubits and short coherence times. To overcome these…

Quantum Physics · Physics 2026-04-23 Yuhan Zheng , Yibin Guo , Huili Zhang , Jie Liu , Xiongzhi Zeng , Xiaoxia Cai , Zhenyu Li , Jinlong Yang

In this study, we address the challenge of controlling quantum systems under environmental influences using the theory of dynamical invariants. We employ a reverse engineering approach to develop control protocols designed to be robust…

Quantum Physics · Physics 2024-08-20 Loris Maria Cangemi , Hilario Espinós , Ricardo Puebla , Erik Torrontegui , Amikam Levy

We propose an extended version of the symmetry-adapted variational-quantum-eigensolver (VQE) and apply it to a two-component Fermi-Hubbard model on a bipartite lattice. In the extended symmetry-adapted VQE method, the Rayleigh quotient for…

Quantum Physics · Physics 2022-03-11 Kazuhiro Seki , Seiji Yunoki

The rapid progress in quantum computing has opened up new possibilities for tackling complex scientific problems. Variational quantum eigensolver (VQE) holds the potential to solve quantum chemistry problems and achieve quantum advantages.…

Quantum Physics · Physics 2024-03-08 Linghua Zhu , Senwei Liang , Chao Yang , Xiaosong Li

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…

We present the meta-VQE, an algorithm capable to learn the ground state energy profile of a parametrized Hamiltonian. By training the meta-VQE with a few data points, it delivers an initial circuit parametrization that can be used to…

Quantum Physics · Physics 2021-06-01 Alba Cervera-Lierta , Jakob S. Kottmann , Alán Aspuru-Guzik

We study the structure of a simple dynamic optimization problem consisting of one state and one control variable, from a physicist's point of view. By using an analogy to a physical model, we study this system in the classical and quantum…

Mathematical Finance · Quantitative Finance 2017-04-05 Mauricio Contreras , Rely Pellicer , Marcelo Villena

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…

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…

Quantum Physics · Physics 2022-04-13 Shi-Xin Zhang , Zhou-Quan Wan , Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Hong Yao

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for quantum simulation that can be run on near-term quantum hardware. A challenge in VQE -- as well as any other heuristic algorithm for finding ground states…

We present a variational quantum eigensolver (VQE) approach for solving the Anderson Impurity Model (AIM) arising in Dynamical Mean-Field Theory (DMFT). Recognizing that the minimal two-site approximation often fails to resolve essential…

Strongly Correlated Electrons · Physics 2026-02-04 Aadi Singh , Chakradhar Rangi , Ka-Ming Tam

The Variational Quantum Eigensolver (VQE), as a hybrid quantum-classical algorithm, is an important tool for effective quantum computing in the current noisy intermediate-scale quantum (NISQ) era. However, the traditional hardware-efficient…

Strongly Correlated Electrons · Physics 2025-11-20 Shaohui Yao , Wenyu Wang

Variational methods are highly valuable computational tools for solving high-dimensional quantum systems. In this paper, we explore the effectiveness of three variational methods: the density matrix renormalization group (DMRG), Boltzmann…

Quantum Physics · Physics 2024-04-18 Daming Li

We propose in this paper a gradient-type dynamical system to solve the problem of maximizing quantum observables for finite dimensional closed quantum ensembles governed by the controlled Liouville-von Neumann equation. The asymptotic…

Optimization and Control · Mathematics 2011-10-03 Ruixing Long , Herschel Rabitz

Differential equations (DEs) serve as the cornerstone for a wide range of scientific endeavors, their solutions weaving through the core of diverse fields such as structural engineering, fluid dynamics, and financial modeling. DEs are…

Quantum Physics · Physics 2025-06-10 Josephine Hunout , Sylvain Laizet , Lorenzo Iannucci