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Quantum chemistry and materials is one of the most promising applications of quantum computing. Yet much work is still to be done in matching industry-relevant problems in these areas with quantum algorithms that can solve them. Most…

Variational quantum algorithms (VQAs) provide a promising approach to achieving quantum advantage for practical problems on near-term noisy intermediate-scale quantum (NISQ) devices. Thus far, most studies on VQAs have focused on…

Quantum Physics · Physics 2023-10-06 Yutaro Enomoto , Keitaro Anai , Kenta Udagawa , Shuntaro Takeda

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 Quantum Phase Difference Estimation (QPDE) algorithm, as an extension of the Quantum Phase Estimation (QPE), is a quantum algorithm designed to compute the differences of two eigenvalues of a unitary operator by exploiting the quantum…

Quantum Physics · Physics 2026-04-14 Boni Paul , Sudhindu Bikash Mandal , Kenji Sugisaki , B. P. Das

Using quantum devices supported by classical computational resources is a promising approach to quantum-enabled computation. One example of such a hybrid quantum-classical approach is the variational quantum eigensolver (VQE) built to…

Quantum Physics · Physics 2017-04-12 Jarrod R. McClean , Mollie E. Schwartz , Jonathan Carter , Wibe A. de Jong

Despite the advantage quantum computers are expected to deliver when performing simulations compared to their classical counterparts, the current noisy intermediate-scale quantum (NISQ) devices remain limited in their capabilities. The…

Quantum Physics · Physics 2024-02-20 Clara Ferreira Cores , Kaur Kristjuhan , Mark Nicholas Jones

Combinatorial optimization on near-term quantum devices is a promising path to demonstrating quantum advantage. However, the capabilities of these devices are constrained by high noise or error rates. In this paper, we propose an iterative…

Quantum Physics · Physics 2022-05-12 Xiaoyuan Liu , Anthony Angone , Ruslan Shaydulin , Ilya Safro , Yuri Alexeev , Lukasz Cincio

The variational quantum eigensolver (VQE) algorithm, designed to calculate the energy of molecular ground states on near-term quantum computers, requires specification of symmetries that describe the system, e.g. spin state and number of…

Quantum Physics · Physics 2020-06-18 Gabriel Greene-Diniz , David Muñoz Ramo

Variational quantum algorithms provide a direct, physics-based approach to protein structure prediction, but their accuracy is limited by the coarse resolution of the energy landscapes generated on current noisy devices. We propose a hybrid…

Emerging Technologies · Computer Science 2025-10-09 Yuqi Zhang , Yuxin Yang , Feixiong Chen , Cheng-Chang Lu , Nima Saeidi , Samuel L. Volchenboum , Junhan Zhao , Siwei Chen , Weiwen Jiang , Qiang Guan

The major advances in quantum computing over the last few decades have sparked great interest in applying it to solve the most challenging computational problems in a wide variety of areas. One of the most pronounced domains here are…

Quantum Physics · Physics 2024-04-11 Andreas Sturm , Bharadwaj Mummaneni , Leon Rullkötter

Quantum enhanced optimization of classical cost functions is a central theme of quantum computing due to its high potential value in science and technology. The variational quantum eigensolver (VQE) and the quantum approximate optimization…

Quantum Physics · Physics 2024-11-27 Giuseppe Scriva , Nikita Astrakhantsev , Sebastiano Pilati , Guglielmo Mazzola

Variational quantum eigensolvers (VQEs) are successful algorithms for studying physical systems on quantum computers. Recently, they were extended to the measurement-based model of quantum computing, bringing resource graph states and their…

Quantum Physics · Physics 2024-06-27 Albie Chan , Zheng Shi , Luca Dellantonio , Wolfgang Dür , Christine A. Muschik

We describe the contextual subspace variational quantum eigensolver (CS-VQE), a hybrid quantum-classical algorithm for approximating the ground state energy of a Hamiltonian. The approximation to the ground state energy is obtained as the…

Quantum Physics · Physics 2021-05-19 William M. Kirby , Andrew Tranter , Peter J. Love

In quantum computing, the variational quantum algorithms (VQAs) are well suited for finding optimal combinations of things in specific applications ranging from chemistry all the way to finance. The training of VQAs with gradient descent…

Quantum Physics · Physics 2022-04-06 Pinaki Sen , Amandeep Singh Bhatia , Kamalpreet Singh Bhangu , Ahmed Elbeltagi

In this study, we propose a new method for constrained combinatorial optimization using variational quantum circuits. Quantum computers are considered to have the potential to solve large combinatorial optimization problems faster than…

Quantum Physics · Physics 2025-07-15 Hyakka Nakada , Kotaro Tanahashi , Shu Tanaka

The Variational Quantum Eigensolver (VQE) is a method of choice to solve the electronic structure problem for molecules on near-term gate-based quantum computers. However, the circuit depth is expected to grow significantly with problem…

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…

Integer factorization has been one of the cornerstone applications of the field of quantum computing since the discovery of an efficient algorithm for factoring by Peter Shor. Unfortunately, factoring via Shor's algorithm is well beyond the…

Quantum Physics · Physics 2018-08-28 Eric R. Anschuetz , Jonathan P. Olson , Alán Aspuru-Guzik , Yudong Cao

Quantum chemistry is envisioned as an early and disruptive application for quantum computers. Yet, closer scrutiny of the proposed algorithms shows that there are considerable difficulties along the way. Here, we propose two criteria for…

Quantum Physics · Physics 2026-04-09 Thibaud Louvet , Thomas Ayral , Xavier Waintal

Current gate-based quantum computers have the potential to provide a computational advantage if algorithms use quantum hardware efficiently. To make combinatorial optimization more efficient, we introduce the Filtering Variational Quantum…