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In electronic structure theory, variational methods offer a valuable paradigm for approximating electronic ground states. However, for historical reasons, this principle is mostly restricted to model chemistries in pre-defined fixed basis…

Quantum Physics · Physics 2025-11-17 Fabian Langkabel , Stefan Knecht , Jakob S. Kottmann

The Variational Quantum Eigensolver (VQE) is a promising algorithm for quantum computing applications in chemistry and materials science, particularly in addressing the limitations of classical methods for complex systems. This study…

Quantum Physics · Physics 2025-02-25 Nia Pollard , Kamal Choudhary

The Variational Quantum Eigensolver (VQE) is a hybrid quantum-classical algorithm for quantum simulation that can be run on near-term quantum hardware. A challenge in VQE -- as well as any other heuristic algorithm for finding ground states…

Quantum computing has brought a paradigm change in computer science, where non-classical technologies have promised to outperform their classical counterpart. Such an advantage was only demonstrated for tasks without practical applications,…

The preparation of quantum states using short quantum circuits is one of the most promising near-term applications of small quantum computers, especially if the circuit is short enough and the fidelity of gates high enough that it can be…

Quantum Physics · Physics 2015-10-07 D. Wecker , M. B. Hastings , M. Troyer

In order to quantify the relative performance of different testbed quantum computing devices, it is useful to benchmark them using a common protocol. While some benchmarks rely on the performance of random circuits and are generic in…

Quantum Physics · Physics 2022-04-20 Bryan T. Gard , Adam M. Meier

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

Quantum chemistry is one of the most promising applications of quantum computers in the near future. For noisy intermediate-scale quantum devices, the quantum-classical hybrid framework based on the variational quantum eigensolver (VQE) has…

Quantum machine learning has emerged as a promising application domain for near-term quantum hardware, particularly through hybrid quantum-classical models that leverage both classical and quantum processing. Although numerous hybrid…

Quantum Physics · Physics 2026-01-09 Dominik Freinberger , Philipp Moser

Variational quantum algorithms are proposed to solve relevant computational problems on near term quantum devices. Popular versions are variational quantum eigensolvers and quantum ap- proximate optimization algorithms that solve ground…

Quantum Physics · Physics 2022-04-15 Lennart Bittel , Martin Kliesch

The accurate first-principles description of strongly-correlated materials is an important and challenging problem in condensed matter physics. Ab initio downfolding has emerged as a way of deriving compressed many-body Hamiltonians that…

Quantum Physics · Physics 2025-04-17 Antonios M. Alvertis , Abid Khan , Norm M. Tubman

Motivated by near term quantum computing hardware limitations, combinatorial optimization problems that can be addressed by current quantum algorithms and noisy hardware with little or no overhead are used to probe capabilities of quantum…

Optimization and Control · Mathematics 2026-05-15 Elijah Pelofske , Andreas Bärtschi , Stephan Eidenbenz

We propose a variational scheme to represent composite quantum systems using multiple parameterized functions of varying accuracies on both classical and quantum hardware. The approach follows the variational principle over the entire…

Quantum Physics · Physics 2024-06-21 Stefano Barison , Filippo Vicentini , Giuseppe Carleo

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…

Anharmonic potential quantum system play crucial role in physics as they provide a more realistic description of oscillatory phenomena, which often deviate from the idealized harmonic model. However, simulating such system on classical…

Quantum Physics · Physics 2025-10-08 Saurav Suman , Bikash K. Behera , Vivek Vyas , Prasanta k. Panigrahi

Variational quantum machine learning algorithms have been proposed as promising tools for time series prediction, with the potential to handle complex sequential data more effectively than classical approaches. However, their practical…

Quantum Physics · Physics 2026-01-22 Tobias Fellner , David Kreplin , Samuel Tovey , Christian Holm

Accurate exchange-correlation (XC) potentials are essential for density functional theory, yet reliable approximations remain challenging for strongly correlated systems. In this work, we present a quantum algorithmic framework to determine…

Strongly Correlated Electrons · Physics 2026-03-18 H. Arslan Hashim , Volodymyr M. Turkowski , Eduardo R. Mucciolo

The variational quantum eigensolver (VQE) is a method that uses a hybrid quantum-classical computational approach to find eigenvalues and eigenvalues of a Hamiltonian. VQE has been proposed as an alternative to fully quantum algorithms such…

Quantum Physics · Physics 2021-09-01 Dmitry A. Fedorov , Bo Peng , Niranjan Govind , Yuri Alexeev

Variational quantum algorithms are a promising tool for solving partial differential equations. The standard approach for its numerical solution are finite difference schemes, which can be reduced to the linear algebra problem. We consider…

Quantum Physics · Physics 2023-10-10 N. M. Guseynov , A. A. Zhukov , W. V. Pogosov , A. V. Lebedev

Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…

Quantum Physics · Physics 2023-01-12 Karen J. Morenz Korol , Kenny Choo , Antonio Mezzacapo