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The variational quantum eigensolver (VQE) is one of the most prominent algorithms using near-term quantum devices, designed to find the ground state of a Hamiltonian. In VQE, a classical optimizer iteratively updates the parameters in the…

Quantum Physics · Physics 2026-02-12 Chenyu Shi , Vedran Dunjko , Hao Wang

The Variational Quantum Eigensolver (VQE) is a promising candidate for quantum applications on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. Despite a lot of empirical studies and recent progress in theoretical understanding…

Quantum Physics · Physics 2022-05-26 Xuchen You , Shouvanik Chakrabarti , Xiaodi Wu

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

Quantum simulation of quantum chemistry is one of the most compelling applications of quantum computing. It is of particular importance in areas ranging from materials science, biochemistry and condensed matter physics. Here, we propose a…

Quantum Physics · Physics 2020-02-25 Shijie Wei , Hang Li , GuiLu Long

As quantum computing progresses, variational quantum eigensolvers (VQE) for ground-state preparation have become an attractive option in leveraging current quantum hardware. However, a major challenge in implementing VQE is understanding…

Quantum Physics · Physics 2025-06-30 Juhi Singh , Andreas Kruckenhauser , Rick van Bijnen , Robert Zeier

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 Eigensolver (VQE) is a hybrid algorithm for finding the minimum eigenvalue/vector of a given Hamiltonian by optimizing a parametrized quantum circuit (PQC) using a classical computer. Sequential optimization methods,…

Quantum Physics · Physics 2024-05-17 Katsuhiro Endo , Yuki Sato , Rudy Raymond , Kaito Wada , Naoki Yamamoto , Hiroshi C. Watanabe

Quantum variational algorithms (QVAs) are increasingly potent tools for simulating quantum many-body systems on noisy intermediate-scale quantum (NISQ) devices. This work examines the application of the Variational Quantum Eigensolver (VQE)…

Nuclear Theory · Physics 2026-01-28 Dhritimalya Roy , Somnath Nag

We present a quantum information-inspired ansatz for the variational quantum eigensolver (VQE) and demonstrate its efficacy in calculating ground-state energies of atomic systems. Instead of adopting a heuristic approach, we start with an…

Quantum Physics · Physics 2025-08-19 Abdul Kalam , Prasenjit Deb , Akitada Sakurai , B. K. Sahoo , V. S. Prasannaa , B. P. Das

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

Quantum computing is an advanced area of computing that leverages the principles of quantum mechanics. Quantum computing holds the potential to revolutionize various fields by handling problems that are currently intractable for classical…

Quantum Physics · Physics 2024-10-28 Xiaoan Lin

Quantum computers are expected to be highly beneficial for chemistry simulations, promising significant improvements in accuracy and speed. The most prominent algorithm for chemistry simulations on NISQ devices is the Variational Quantum…

Quantum Physics · Physics 2022-09-27 Marita Oliv , Andrea Matic , Thomas Messerer , Jeanette Miriam Lorenz

Quantum systems in excited states are attracting significant interest with the advent of noisy intermediate scale quantum (NISQ) devices. While ground states of small molecular systems are typically explored using hybrid variational…

Quantum Physics · Physics 2025-11-18 Cameron Cianci , Lea F. Santos , Victor S. Batista

Variational Quantum Algorithms (VQAs) are iterative algorithms suited to implementation on current-era quantum devices. VQAs employ classical optimization to minimize cost functions evaluated on quantum circuits. However, the extent to…

Quantum Physics · Physics 2025-11-05 Bikrant Bhattacharyya , Gokul Ravi

We propose a quantum algorithm, inspired by ADAPT-VQE, to variationally prepare the ground state of a quantum Hamiltonian, with the desirable property that if it fails to find the ground state, it still yields a physically meaningful…

Quantum Physics · Physics 2025-05-16 Shuchen Zhu , Yu Tong

Electronic excited states of molecules are central to many physical and chemical processes, and yet they are typically more difficult to compute than ground states. In this paper we leverage the advantages of quantum computers to develop an…

Quantum Physics · Physics 2023-05-09 Yuchen Wang , David A. Mazziotti

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

The Variational Quantum Eigensolver (VQE) is a promising tool for simulating ground states of quantum many-body systems on noisy quantum computers. Its effectiveness relies heavily on the ansatz, which must be both hardware-efficient for…

Quantum Physics · Physics 2025-06-05 Alina Joch , Götz S. Uhrig , Benedikt Fauseweh

The variational quantum eigensolver (VQE) has emerged as one of the leading quantum algorithms for solving electronic structure problems on near-term noisy intermediate-scale quantum devices. However, its practical application to quantum…

Chemical Physics · Physics 2026-03-24 Yanxian Tao , Lingyun Wan , Jie Liu

We introduce the Cyclic Variational Quantum Eigensolver (CVQE), a hardware-efficient framework for accurate ground-state quantum simulation on noisy intermediate-scale quantum (NISQ) devices. CVQE departs from conventional VQE by…

Quantum Physics · Physics 2025-09-17 Hao Zhang , Ayush Asthana