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Quantum computing presents a promising path toward precise quantum chemical simulations, particularly for systems that challenge classical methods. This work investigates the performance of the Variational Quantum Eigensolver (VQE) in…

Quantum Physics · Physics 2025-10-28 Zakaria Boutakka , Nouhaila Innan , Muhammed Shafique , Mohamed Bennai , Z. Sakhi

Variational algorithms for strongly correlated chemical and materials systems are one of the most promising applications of near-term quantum computers. We present an extension to the variational quantum eigensolver that approximates the…

Quantum Physics · Physics 2020-08-26 William J. Huggins , Joonho Lee , Unpil Baek , Bryan O'Gorman , K. Birgitta Whaley

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

Recent research has shown that wavefunction evolution in real- and imaginary-time can generate quantum subspaces with significant utility for obtaining accurate ground state energies. Inspired by these methods, we propose combining quantum…

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

The inherent noise in current Noisy Intermediate-Scale Quantum (NISQ) devices presents a major obstacle to the accurate implementation of quantum algorithms such as the Variational Quantum Eigensolver (VQE) for quantum chemistry…

The Variational Quantum Eigensolver (VQE) is a promising algorithm for future Noisy Intermediate-Scale Quantum (NISQ) devices to simulate chemical systems. In this paper, we consider the classical simulation of the iterative Qubit Coupled…

Quantum Physics · Physics 2025-02-27 Damian S. Steiger , Thomas Häner , Scott N. Genin , Helmut G. Katzgraber

Estimating the ground-state energy of a quantum system is one of the most promising applications for quantum algorithms. Here we propose a variational quantum eigensolver (VQE) \emph{Ansatz} for finding ground state configuration…

Quantum Physics · Physics 2026-02-10 Koray Aydoğan , Anna R. Spak , Kade Head-Marsden , Anthony W. Schlimgen

Solving ground states of quantum many-body systems has been a long-standing problem in condensed matter physics. Here, we propose a new unsupervised machine learning algorithm to find the ground state of a general quantum many-body system…

Disordered Systems and Neural Networks · Physics 2019-06-27 Jiaxin Wu , Wenjuan Zhang

Variational quantum eigensolver (VQE) is a promising algorithm suitable for near-term quantum machines. VQE aims to approximate the lowest eigenvalue of an exponentially sized matrix in polynomial time. It minimizes quantum resource…

The Variational Quantum Eigensolver (VQE) is one the most perspective algorithms for simulation of quantum many body physics that have recently attached a lot of attention and believed would be practical for implementation on the near term…

Quantum Physics · Physics 2021-05-03 Belozerova Polina , Shangareev Arthur , Zotov Yuriy , Yung Manhong , lv Dingshun

We present high-precision quantum computing simulations of three-body atoms (He, H$^-$) and molecules (H$_2^+$, HD$^+$), the latter being studied beyond the Born-Oppenheimer approximation. The Non-Iterative Disentangled Unitary Coupled…

Quantum Physics · Physics 2025-10-22 Mohammad Haidar , Hugo D. Nogueira , J. -Ph. Karr

In the emergent realm of quantum computing, the Variational Quantum Eigensolver (VQE) stands out as a promising algorithm for solving complex quantum problems, especially in the noisy intermediate-scale quantum (NISQ) era. However, the…

Quantum Physics · Physics 2024-03-13 Subhasree Bhattacharjee , Soumyadip Sarkar , Kunal Das , Bikramjit Sarkar

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), as a hybrid quantum-classical algorithm, is an important tool for effective quantum computing in the current noisy intermediate-scale quantum (NISQ) era. However, the traditional hardware-efficient…

Strongly Correlated Electrons · Physics 2025-11-20 Shaohui Yao , Wenyu Wang

Variational quantum eigensolver (VQE) is a hybrid quantum-classical algorithm designed for noisy intermediate-scale quantum (NISQ) computers. It is promising for quantum chemical calculations (QCC) because it can calculate the ground-state…

We explore the application of the Variational Quantum Eigensolver (VQE) to investigate the ground state properties, particularly the entanglement entropy, of the Transverse Field Ising Model (TFIM) in one, two, and three dimensions,…

Quantum Physics · Physics 2026-04-24 Ashutosh P. Tripathi , Nilmani Mathur , Vikram Tripathi

Quantum computing offers a promising paradigm for electromagnetic eigenmode analysis, enabling compact representations of complex field interactions and potential exponential speedup over classical numerical solvers. Recent efforts have…

Quantum Physics · Physics 2025-12-12 Zhixiu Han , Fanxu Meng , Weidong Li , Xutao Yu , Zaichen Zhang

Variational Quantum algorithms, especially Quantum Approximate Optimization and Variational Quantum Eigensolver (VQE) have established their potential to provide computational advantage in the realm of combinatorial optimization. However,…

Quantum Physics · Physics 2023-07-11 Dheeraj Peddireddy , Utkarsh Priyam , Vaneet Aggarwal

Quantum-enhanced computing methods are promising candidates to solve currently intractable problems. We consider here a variational quantum eigensolver (VQE), that delegates costly state preparations and measurements to quantum hardware,…

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