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The variational quantum eigensolver (VQE) is one of the most representative quantum algorithms in the noisy intermediate-size quantum (NISQ) era, and is generally speculated to deliver one of the first quantum advantages for the…

Quantum Physics · Physics 2022-04-13 Shi-Xin Zhang , Zhou-Quan Wan , Chee-Kong Lee , Chang-Yu Hsieh , Shengyu Zhang , Hong Yao

In the field of quantum chemistry, the variational quantum eigensolver (VQE) has emerged as a highly promising approach to determine molecular energies and properties within the noisy intermediate-scale quantum (NISQ) era. The central…

Quantum Physics · Physics 2025-10-20 Dibyendu Mondal , Debaarjun Mukherjee , Rahul Maitra

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

Solving interacting multi-particle systems is a central challenge in quantum chemistry and condensed matter physics. In this work, we investigate the computation of ground states and ground-state energies for the He-H+ and H2O molecules…

Quantum Physics · Physics 2026-01-08 Luca Ion , Adam Smith

We study the entanglement distance of variational quantum states for two-qubit and multi-qubit systems. These states are constructed using variational quantum circuits with $R_Y$ rotations and entangling $CZ$ gates. For the two-qubit case,…

Quantum Physics · Physics 2026-05-29 Kh. P. Gnatenko , R. O. Hredil , V. Y. Pinchuk , M. Z. Seniak , Y. T. Shevchuk

This thesis investigates sampling-based quantum algorithms for electronic ground state energy estimation, focusing on Quantum-Selected Configuration Interaction (QSCI) and Sample-Based Quantum Diagonalization (SQD) as near-term alternatives…

Quantum Physics · Physics 2025-09-29 Abdelmouheymen Rabah Khamadja , Mohamed Taha Rouabah

Great efforts have been dedicated in recent years to explore practical applications for noisy intermediate-scale quantum (NISQ) computers, which is a fundamental and challenging problem in quantum computing. As one of the most promising…

The ground state properties of the two-dimensional $J_1-J_2$-model are very challenging to analyze via classical numerical methods due to the high level of frustration. This makes the model a promising candidate where quantum computers…

Quantum Physics · Physics 2023-04-27 Verena Feulner , Michael J. Hartmann

Finding and probing the ground states of spin lattices, such as the antiferromagnetic Heisenberg model on the kagome lattice (KAFH), is a very challenging problem on classical computers and only possible for relatively small systems. We…

Quantum Physics · Physics 2021-10-05 Jan Lukas Bosse , Ashley Montanaro

Variational Quantum Algorithms (VQAs) have emerged as promising methods for tackling complex problems on near-term quantum devices. Among these algorithms, the Variational Quantum Linear Solver (VQLS) addresses linear systems of the form…

Quantum Physics · Physics 2024-09-11 Gloria Turati , Alessia Marruzzo , Maurizio Ferrari Dacrema , Paolo Cremonesi

This thesis explores the application of the Symmetry-Breaking/Symmetry-Restoration methodology on quantum computers to better approximate a Hamiltonian's ground state energy within a variational framework in many-body physics. This involves…

Quantum Physics · Physics 2023-11-10 Andres Ruiz

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

Extracting eigenvalues and eigenvectors of exponentially large matrices will be an important application of near-term quantum computers. The Variational Quantum Eigensolver (VQE) treats the case when the matrix is a Hamiltonian. Here, we…

Quantum Physics · Physics 2022-09-28 M. Cerezo , Kunal Sharma , Andrew Arrasmith , Patrick J. Coles

Ab initio electronic excited state calculations are necessary for the quantitative study of photochemical reactions, but their accurate computation on classical computers is plagued by prohibitive scaling. The Variational Quantum Deflation…

Exact diagonalization (ED) is an essential tool for exploring quantum many-body physics but is fundamentally limited by the exponentially-scaled computational complexity. Here, we propose tensor network variational diagonalization (TNVD),…

Quantum Physics · Physics 2025-08-11 Peng-Fei Zhou , Shuang Qiao , An-Chun Ji , Shi-Ju Ran

A programmable quantum device that has a large number of qubits without fault-tolerance has emerged recently. Variational Quantum Eigensolver (VQE) is one of the most promising ways to utilize the computational power of such devices to…

Machine learning, one of today's most rapidly growing interdisciplinary fields, promises an unprecedented perspective for solving intricate quantum many-body problems. Understanding the physical aspects of the representative artificial…

Disordered Systems and Neural Networks · Physics 2017-05-12 Dong-Ling Deng , Xiaopeng Li , S. Das Sarma

Variational approaches, such as variational Monte Carlo (VMC) or the variational quantum eigensolver (VQE), are powerful techniques to tackle the ground-state many-electron problem. Often, the family of variational states is not invariant…

Quantum Physics · Physics 2023-10-10 Javier Robledo Moreno , Jeffrey Cohn , Dries Sels , Mario Motta

Quantum processing units boost entanglement at the level of hardware and enable physical simulations of highly correlated electron states in molecules and intermolecular chemical bonds. The variational quantum eigensolver provides a…

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
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