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The prediction of electronic structure for strongly correlated molecules represents a promising application for near-term quantum computers. Significant attention has been paid to ground state wavefunctions, but excited states of molecules…

Quantum Physics · Physics 2025-01-08 Harper R. Grimsley , Francesco A. Evangelista

Variational quantum eigensolver (VQE) is regarded as a promising candidate of hybrid quantum-classical algorithm for the near-term quantum computers. Meanwhile, VQE is confronted with a challenge that statistical error associated with the…

Quantum Physics · Physics 2023-12-12 Ken N. Okada , Keita Osaki , Kosuke Mitarai , Keisuke Fujii

Measurement-based quantum computing (MBQC) is a promising approach to reducing circuit depth in noisy intermediate-scale quantum algorithms such as the Variational Quantum Eigensolver (VQE). Unlike gate-based computing, MBQC employs local…

Quantum Physics · Physics 2023-12-21 Anna Schroeder , Matthias Heller , Mariami Gachechiladze

Variational quantum eigensolvers (VQEs) are one of the most important and effective applications of quantum computing, especially in the current noisy intermediate-scale quantum (NISQ) era. There are mainly two ways for VQEs:…

Quantum Physics · Physics 2024-11-19 Xin Wang , Bo Qi , Yabo Wang , Daoyi Dong

Non-Hermitian operators naturally arise in the description of open quantum systems, which exhibit features such as resonances and decay processes, where the associated eigenvalues are complex. Standard quantum algorithms, including the…

Quantum Physics · Physics 2026-04-01 Durgesh Pandey , Ankit Kumar Das , P. Arumugam

The Variational Quantum Eigensolver (VQE) is a key algorithm for near-term quantum computers, yet its performance is often limited by the classical optimization of circuit parameters. We propose using the velocity Verlet algorithm, inspired…

Quantum Physics · Physics 2026-03-11 Rinka Miura

We develop a quantum-classical hybrid algorithm to calculate the analytical second-order derivative of the energy for the orbital-optimized variational quantum eigensolver (OO-VQE), which is a method to calculate eigenenergies of a given…

Chemical Physics · Physics 2023-04-19 Yuya O. Nakagawa , Jiabao Chen , Shotaro Sudo , Yu-ya Ohnishi , Wataru Mizukami

Variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) computers. It is promising for quantum chemical calculations (QCC) because it can calculate the ground-state…

In recent years, the Variational Quantum Eigensolver (VQE) has emerged as one of the most popular algorithms for solving the electronic structure problem on near-term quantum computers. The utility of VQE is often hindered by the…

Quantum Physics · Physics 2026-02-04 M. R. Nirmal , Ankit Khandelwal , Manoj Nambiar , Sharma S. R. K. C. Yamijala

We introduce an adaptive finite element scheme for the efficient approximation of a (large) collection of eigenpairs of selfadjoint elliptic operators in which the adaptive refinement is driven by the solution of a single source problem --…

Numerical Analysis · Mathematics 2025-06-03 Stefano Giani , Jeffrey Ovall , Gabriel Pinochet-Soto

The wave function Ansatze are crucial in the context of the Variational Quantum Eigensolver (VQE). In the Noisy Intermediate-Scale Quantum era, the design of low-depth wave function Ansatze is of great importance for executing quantum…

Quantum Physics · Physics 2024-06-18 Zhijie Sun , Jie Liu , Zhenyu Li , Jinlong Yang

Variational Quantum algorithms, especially Quantum Approximate Optimization and Variational Quantum Eigensolver (VQE) have established their potential to provide computational advantage in the realm of combinatorial optimization. However,…

Quantum Physics · Physics 2023-07-11 Dheeraj Peddireddy , Utkarsh Priyam , Vaneet Aggarwal

The variational quantum eigensolver (VQE) is one of the most promising algorithms to find eigenvalues and eigenvectors of a given Hamiltonian on noisy intermediate-scale quantum (NISQ) devices. A particular application is to obtain ground…

The quantum-classical hybrid variational quantum eigensolver (VQE) algorithm is arguably the most popular noisy intermediate-scale quantum (NISQ) era approach to quantum chemistry. We consider the underexplored quantum annealing eigensolver…

In this work, we study the projective quantum eigensolver (PQE) approach to optimizing unitary coupled cluster wave functions on quantum hardware, as introduced in arXiv:2102.00345. The projective quantum eigensolver is a hybrid…

Quantum Physics · Physics 2026-01-28 Martin Plazanet , Thomas Ayral

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

Variational Quantum Eigensolver (VQE) provides a powerful solution for approximating molecular ground state energies by combining quantum circuits and classical computers. However, estimating probabilistic outcomes on quantum hardware…

Quantum Physics · Physics 2024-05-07 Senwei Liang , Linghua Zhu , Xiaolin Liu , Chao Yang , Xiaosong Li

We introduce a variational algorithm based on the quantum alternating operator ansatz (QAOA) for the approximate solution of computationally hard counting problems. Our algorithm, dubbed VQCount, is based on the equivalence between random…

Quantum Physics · Physics 2026-04-16 Julien Drapeau , Shreya Banerjee , Stefanos Kourtis

Inspired by recent advancements of simulating periodic systems on quantum computers, we develop a new approach, (SC)$^2$-ADAPT-VQE, to further advance the simulation of these systems. Our approach extends the scalable circuits ADAPT-VQE…

Variational Quantum Eigensolvers (VQEs) are a powerful class of hybrid quantum-classical algorithms designed to approximate the ground state of a quantum system described by its Hamiltonian. VQEs hold promise for various applications,…

Quantum Physics · Physics 2025-02-04 Kim A. Nicoli , Luca J. Wagner , Lena Funcke