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Most literature in the Variational Quantum Eigensolver (VQE) algorithm focuses on finding the ground state of a physical system, by minimizing a quantum-computed cost-function. When excited states are required, the cost-function is usually…

Quantum Physics · Physics 2022-04-12 Kyle Sherbert , Marco Buongiorno Nardelli

Quantum phase estimation (QPE) is a promising quantum algorithm for obtaining molecular ground-state energies with chemical accuracy. However, its computational cost, dominated by the Hamiltonian 1-norm $\lambda$ and the cost of the block…

The variational quantum eigensolver (VQE) is one of the most promising algorithms for low-lying eigenstates calculation on Noisy Intermediate-Scale Quantum (NISQ) computers. Specifically, VQE has achieved great success for ground state…

Numerical Analysis · Mathematics 2025-12-19 Hengzhun Chen , Yingzhou Li , Bichen Lu , Jianfeng Lu

The state-of-the-art quantum computing hardware has entered the noisy intermediate-scale quantum (NISQ) era. Having been constrained by the limited number of qubits and shallow circuit depth, NISQ devices have nevertheless demonstrated the…

Quantum Physics · Physics 2022-06-23 Guanglei Xu , Yi-Bin Guo , Xuan Li , Zong-Sheng Zhou , Hai-Jun Liao , T. Xiang

The Variational Quantum Algorithms (VQAs) are hybrid quantum-classical algorithms and they can be used in the Nosiy Intermadiate Scale Quantum (NISQ) devises. The Variational Quantum Eigensolver (VQE) was suggested as a first VQA. VQE is…

Quantum Physics · Physics 2026-03-09 Murat Kurt , Ayda Kaltehei , Selçuk Çakmak , Azmi Gençten

Variational quantum algorithms (VQAs) have emerged in recent years as a promise to obtain quantum advantage. These task-oriented algorithms work in a hybrid loop combining a quantum processor and classical optimization. Using a specific…

Even a minor boost in solving combinatorial optimization problems can greatly benefit multiple industries. Quantum computers, with their unique information processing capabilities, hold promise for delivering such enhancements. The…

Quantum Physics · Physics 2025-05-15 Gabriel Marin-Sanchez , David Amaro

Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…

Quantum Physics · Physics 2026-03-31 Shota Kanasugi , Riki Toshio , Kazunori Maruyama , Hirotaka Oshima

The variational quantum eigensolver (VQE) is an algorithm for finding the ground states of a given Hamiltonian. Its application to binary-formulated combinatorial optimization (CO) has been widely studied in recent years. However, typical…

Quantum Physics · Physics 2025-08-08 Ningyi Xie , Xinwei Lee , Tiejin Chen , Yoshiyuki Saito , Nobuyoshi Asai , Dongsheng Cai

In this work we present an experimental demonstration of the Contextual Subspace Variational Quantum Eigensolver on superconducting quantum hardware. In particular, we compute the potential energy curve for molecular nitrogen, where a…

Quantum Physics · Physics 2025-02-13 Tim Weaving , Alexis Ralli , Peter J. Love , Sauro Succi , Peter V. Coveney

In this work, we compare three qubit-mapping strategies to study the structure of the nuclear ground state within the shell model description employing the Variational Quantum Eigensolver (VQE) approach. Although the initial point for…

Nuclear Theory · Physics 2026-05-29 Chandan Sarma , Paul Stevenson

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

Variational quantum algorithms (VQAs) are a modern family of quantum algorithms designed to solve optimization problems using a quantum computer. Typically VQAs rely on a feedback loop between the quantum device and a classical optimization…

Quantum Physics · Physics 2022-08-26 Alexey Uvarov

We develop analytical gradients of ground- and excited-state energies with respect to system parameters including the nuclear coordinates for the hybrid quantum/classical multistate contracted variational quantum eigensolver (MC-VQE)…

Quantum Physics · Physics 2021-10-12 Robert M. Parrish , Gian-Luca R. Anselmetti , Christian Gogolin

Hybrid quantum-classical algorithms have been proposed as a potentially viable application of quantum computers. A particular example - the variational quantum eigensolver, or VQE - is designed to determine a global minimum in an energy…

Quantum Physics · Physics 2020-08-05 Alexey Uvarov , Jacob Biamonte , Dmitry Yudin

Determining the properties of molecules and materials is one of the premier applications of quantum computing. A major question in the field is how to use imperfect near-term quantum computers to solve problems of practical value. Inspired…

Some of the computational limitations in solving the nuclear many-body problem could be overcome by utilizing quantum computers. The nuclear shell-model calculations providing deeper insights into the properties of atomic nuclei, is one…

Quantum Physics · Physics 2026-05-25 Nifeeya Singh , Pooja Siwach , P. Arumugam

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

Quantum machine learning algorithms have emerged to be a promising alternative to their classical counterparts as they leverage the power of quantum computers. Such algorithms have been developed to solve problems like electronic structure…

Chemical Physics · Physics 2021-10-29 Manas Sajjan , Shree Hari Sureshbabu , Sabre Kais

We experimentally demonstrate a qubit-efficient variational quantum eigensolver (VQE) algorithm using a superconducting quantum processor, employing minimal quantum resources with only a transmon qubit coupled to a high-coherence photonic…