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The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

Quantum Physics · Physics 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

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

We study an adiabatic variant of the variational quantum eigensolver (VQE) in which VQE is performed iteratively for a sequence of Hamiltonians along an adiabatic path. We derive the conditions under which gradient-based optimization…

Quantum Physics · Physics 2026-02-20 Bojan Žunkovič , Marco Ballarin , Lewis Wright , Michael Lubasch

Quantum systems have historically been formidable to simulate using classical computational methods, particularly as the system size grows. In recent years, advancements in quantum computing technology have offered new opportunities for…

Quantum Physics · Physics 2023-09-06 Jinao Wang , Rimika Jaiswal

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) algorithm has been developed to target near term Noisy Intermediate Scale Quantum (NISQ) computers as a method to find the eigenvalues of Hamiltonians. Unlike fully quantum algorithms such as…

Quantum Physics · Physics 2026-02-13 Taylor Harville , Rishu Khurana , Vitor F. Grizzi , Cong Liu

The variational quantum eigensolver (VQE) is one of the most appealing quantum algorithms to simulate electronic structure properties of molecules on near-term noisy intermediate-scale quantum devices. In this work, we generalize the VQE…

Quantum Physics · Physics 2022-06-09 Jie Liu , Lingyun Wan , Zhenyu Li , Jinlong Yang

The Variational Quantum Eigensolver (VQE) is a promising algorithm for quantum computing applications in chemistry and materials science, particularly in addressing the limitations of classical methods for complex systems. This study…

Quantum Physics · Physics 2025-02-25 Nia Pollard , Kamal Choudhary

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

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…

The variational quantum eigensolver (VQE) is a hybrid algorithm that has the potential to provide a quantum advantage in practical chemistry problems that are currently intractable on classical computers. VQE trains parameterized quantum…

Quantum Physics · Physics 2023-11-10 Quoc Hoan Tran , Shinji Kikuchi , Hirotaka Oshima

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…

Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to utilize today's noisy quantum processors. One of their flagship…

A family of Variational Quantum Eigensolver (VQE) methods is designed to maximize the resource of existing noisy intermediate-scale quantum (NISQ) devices. However, VQE approaches encounter various difficulties in simulating molecules of…

Chemical Physics · Physics 2022-08-16 M. D. Sapova , A. K. Fedorov

We study the Quantum Approximate Optimization Algorithm (QAOA) in the context of the Max-Cut problem. Near-term (noisy) quantum devices are only able to (accurately) execute QAOA at low circuit depths while QAOA requires a relatively high…

Quantum Physics · Physics 2023-08-24 Reuben Tate , Majid Farhadi , Creston Herold , Greg Mohler , Swati Gupta

A longstanding computational challenge is the accurate simulation of many-body particle systems. Especially for deriving key characteristics of high-impact but complex systems such as battery materials and high entropy alloys (HEA). While…

Quantum Physics · Physics 2025-11-20 Koen Mesman , Yinglu Tang , Matthias Moller , Boyang Chen , Sebastian Feld

The variational quantum eigensolver (VQE) is an attracting possible application of near-term quantum computers. Originally, the aim of the VQE is to find a ground state for a given specific Hamiltonian. It is achieved by minimizing the…

Quantum Physics · Physics 2019-04-30 Kosuke Mitarai , Tennin Yan , Keisuke Fujii

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

We present an approach, which we term quantum-enhanced optimization, to accelerate classical optimization algorithms by leveraging quantum sampling. Our method uses quantum-generated samples as warm starts to classical heuristics for…

Quantum Physics · Physics 2025-08-25 Ieva Čepaitė , Niam Vaishnav , Leo Zhou , Ashley Montanaro

We propose a divide-and-conquer method for the quantum-classical hybrid algorithm to solve larger problems with small-scale quantum computers. Specifically, we concatenate a variational quantum eigensolver (VQE) with a reduction in the…

Quantum Physics · Physics 2022-01-26 Keisuke Fujii , Kaoru Mizuta , Hiroshi Ueda , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa