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Calculating the molecular ground-state energy is a central challenge in computational chemistry. Conventional methods such as the Complete Active Space Configuration Interaction scale exponentially with molecular size, limiting their…

Quantum Physics · Physics 2025-12-15 Stefano Bruni , Enrico Prati

Quantum annealing is a promising algorithm for solving combinatorial optimization problems. It searches for the ground state of the Ising model, which corresponds to the optimal solution of a given combinatorial optimization problem. The…

Statistical Mechanics · Physics 2026-02-25 Tomohiro Hattori , Shu Tanaka

Quantum annealing devices have been subject to various analyses in order to classify their usefulness for practical applications. While it has been successfully proven that such systems can in general be used for solving combinatorial…

Quantum Physics · Physics 2019-03-18 Michael Streif , Florian Neukart , Martin Leib

We propose to use a quantum adiabatic and simulated-annealing framework to compute theground state of small molecules. The initial Hamiltonian of our algorithms is taken to be themaximum commuting Hamiltonian that consists of a maximal set…

Quantum Physics · Physics 2021-02-10 Hongye Yu , Tzu-Chieh Wei

The ability to evaluate the outcomes of quantum annealers is essential for such devices to be used in complex computational tasks. We introduce a statistical test of the quality of Ising-based annealers' output based on the data only,…

Quantum Physics · Physics 2022-10-06 Krzysztof Domino , Mátyás Koniorczyk , Zbigniew Puchała

We propose a nonadiabatic approach to quantum annealing, in which we repeat quantum annealing in nonadiabatic time scales, and collect the final states of many realizations to find the ground state among them. In this way, we replace the…

Statistical Mechanics · Physics 2013-03-26 Hitoshi Katsuda , Hidetoshi Nishimori

Quantum chemistry calculations for small molecules on quantum hardware have been demonstrated to date only on universal-gate quantum computers, not quantum annealers. The latter devices are limited to finding the lowest eigenstate of the…

Chemical Physics · Physics 2019-01-16 Scott N. Genin , Ilya G. Ryabinkin , Artur F. Izmaylov

Controlled quantum mechanical devices provide a means of simulating more complex quantum systems exponentially faster than classical computers. Such "quantum simulators" rely heavily upon being able to prepare the ground state of…

Quantum Physics · Physics 2012-08-01 Dvir Kafri , Jacob M. Taylor

Quantum chemistry calculations are important applications of quantum annealing. For practical applications in quantum chemistry, it is essential to estimate a ground state energy of the Hamiltonian with chemical accuracy. However, there are…

Quantum Physics · Physics 2021-02-11 Takashi Imoto , Yuya Seki , Yuichiro Matsuzaki , Shiro Kawabata

We use superconducting qubit quantum annealing devices to determine the ground state of Ising models with algebraically decaying competing long-range interactions in the thermodynamic limit. This is enabled by a unit-cell-based optimization…

Quantum Physics · Physics 2025-11-12 Jan Alexander Koziol , Kai Phillip Schmidt

The determination of ground state properties of quantum systems is a fundamental problem in physics and chemistry, and is considered a key application of quantum computers. A common approach is to prepare a trial ground state on the quantum…

Quantum Physics · Physics 2023-12-13 Harish J. Vallury , Lloyd C. L. Hollenberg

Determining Hamiltonian ground states and energies is a challenging task with many possible approaches on quantum computers. While variational quantum eigensolvers are popular approaches for near term hardware, adiabatic state preparation…

Quantum Physics · Physics 2021-10-28 Vladimir Kremenetski , Tad Hogg , Stuart Hadfield , Stephen J. Cotton , Norm M. Tubman

Quantum computers are ideal for solving chemistry problems due to their polynomial scaling with system size in contrast to classical computers which scale exponentially. Until now molecular energy calculations using quantum computing…

Quantum Physics · Physics 2019-08-15 Alexander Teplukhin , Brian K. Kendrick , Dmitri Babikov

This study introduces a novel framework that brings together two main Quantum Programming methodologies, gate-based Quantum Computing and Quantum Annealing, by applying the Model-Driven Engineering principles. This aims to enhance the…

Quantum Physics · Physics 2024-10-14 Furkan Polat , Hasan Tuncer , Armin Moin , Moharram Challenger

Quantum annealing (QA) is one of the efficient methods to calculate the ground-state energy of a problem Hamiltonian. In the absence of noise, QA can accurately estimate the ground-state energy if the adiabatic condition is satisfied.…

Quantum Physics · Physics 2022-10-18 Yuta Shingu , Tetsuro Nikuni , Shiro Kawabata , Yuichiro Matsuzaki

Quantum annealing is a novel type of analog computation that aims to use quantum mechanical fluctuations to search for optimal solutions of Ising problems. Quantum annealing in the transverse field Ising model, implemented on D-Wave…

Quantum Physics · Physics 2023-06-13 Elijah Pelofske

Quantum annealing aims at solving hard computational problems through adiabatic state preparation. Here, I propose to use inhomogeneous longitudinal magnetic fields to enhance the efficiency of the annealing. Such fields are able to bias…

Quantum Physics · Physics 2019-09-23 Tobias Graß

By analyzing the characteristics of hardware-native Ising Models and their performance on current and next generation quantum annealers, we provide a framework for determining the prospect of advantage utilizing adiabatic evolution compared…

Quantum Physics · Physics 2024-06-25 Salvatore Certo , Georgios Korpas , Andrew Vlasic , Philip Intallura

The Hubbard model has occupied the minds of condensed matter physicists for most part of the last century. This model provides insight into a range of phenomena in correlated electron systems. We wish to examine the paradigm of quantum…

Quantum Physics · Physics 2026-05-12 Kunal Vyas , Fengping Jin , Hans De Raedt , Kristel Michielsen

Ising spin Hamiltonians are often used to encode a computational problem in their ground states. Quantum Annealing (QA) computing searches for such a state by implementing a slow time-dependent evolution from an easy-to-prepare initial…

Quantum Physics · Physics 2022-05-02 Bin Yan , Nikolai A. Sinitsyn
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