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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…

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for preparing ground states in the current era of noisy devices. The classical component of the algorithm requires a large number of measurements on…

Quantum Physics · Physics 2025-03-27 Akib Karim , Shaobo Zhang , Muhammad Usman

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

The development of various dynamic ansatz-constructing techniques has ushered in a new era, rendering the practical exploitation of Noisy Intermediate-Scale Quantum (NISQ) hardware for molecular simulations increasingly viable. However,…

Quantum Physics · Physics 2023-10-13 Sonaldeep Halder , Anish Dey , Chinmay Shrikhande , Rahul Maitra

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

In order to answer the problem of Quantum Phase Estimation Algorithm been not suitable for NISQ devices, and allows one to outperform classical computers, Variational Quantum Algorithms (VQAs) were designed. Our subject of interest is the…

Quantum Physics · Physics 2022-10-28 Max Alteg , Baptiste Chevalier , Octave Mestoudjian , Johan-Luca Rossi

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…

Recent quantum algorithms pertaining to electronic structure theory primarily focus on threshold-based dynamic construction of ansatz by selectively including important many-body operators. These methods can be made systematically more…

Quantum Physics · Physics 2024-08-26 Chayan Patra , Debaarjun Mukherjee , Sonaldeep Halder , Dibyendu Mondal , Rahul Maitra

By design, the variational quantum eigensolver (VQE) strives to recover the lowest-energy eigenvalue of a given Hamiltonian by preparing quantum states guided by the variational principle. In practice, the prepared quantum state is…

Quantum Physics · Physics 2021-06-29 Daniel Claudino , Jerimiah Wright , Alexander J. McCaskey , Travis S. Humble

The adaptive derivative-assembled pseudo-trotter variational quantum eigensolver (ADAPT-VQE) is a promising hybrid quantum-classical algorithm for molecular ground state energy calculation, yet its practical scalability is hampered by…

Quantum Physics · Physics 2026-02-05 Runhong He , Xin Hong , Qiaozhen Chai , Ji Guan , Junyuan Zhou , Arapat Ablimit , Guolong Cui , Shenggang Ying

The Variational Quantum Eigensolver (VQE) is a quantum algorithm used to find the ground state energy of a given Hamiltonian. The key component of VQE is the ansatz, which is a trial wavefunction that the algorithm uses to approximate the…

Quantum Physics · Physics 2023-10-05 Yilin Shen

Recent advances in quantum information and quantum science have inspired the development of various compact dynamic structured ans\"{a}tze that are expected to be realizable in the Noisy Intermediate-Scale Quantum (NISQ) devices. However,…

Quantum Physics · Physics 2024-03-18 Dipanjali Halder , Dibyendu Mondal , Rahul Maitra

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Variational quantum algorithms have found success in the NISQ era owing to their hybrid quantum-classical approach which mitigate the problems of noise in quantum computers. In our study we introduce the dynamic ansatz in the Variational…

Quantum Physics · Physics 2022-02-08 Hrushikesh Patil , Yulun Wang , Predrag Krstic

The hardware requirements of useful quantum algorithms remain unmet by the quantum computers available today. Because it was designed to soften these requirements, the Variational Quantum Eigensolver (VQE) has gained popularity as a…

Quantum Physics · Physics 2022-12-09 Mafalda Ramôa

We develop and implement a novel pulse-based ansatz, which we call PANSATZ, for more efficient and accurate implementations of variational quantum algorithms (VQAs) on today's noisy intermediate-scale quantum (NISQ) computers. Our approach…

Quantum Physics · Physics 2024-01-03 Dekel Meirom , Steven H. Frankel

Highly excited states of quantum many-body systems are central objects in the study of quantum dynamics and thermalization that challenge classical computational methods due to their volume-law entanglement content. In this work, we explore…

Quantum Physics · Physics 2022-02-17 Feng Zhang , Niladri Gomes , Yongxin Yao , Peter P. Orth , Thomas Iadecola

This work studies the variational quantum eigensolver algorithm, designed to determine the ground state of a quantum mechanical system by combining classical and quantum hardware. Methods of reducing the number of required qubit…

Quantum Physics · Physics 2022-03-01 R. J. P. T. de Keijzer , V. E. Colussi , B. Škorić , S. J. J. M. F. Kokkelmans

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

Quantum Physics · Physics 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

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