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A unitary coupled-cluster (UCC) form for the wavefunction in the variational quantum eigensolver has been suggested as a systematic way to go beyond the mean-field approximation and include electron correlation in solving quantum chemistry…

Quantum Physics · Physics 2018-09-12 Ilya G. Ryabinkin , Tzu-Ching Yen , Scott N. Genin , Artur F. Izmaylov

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

Quantum chemistry is regarded to be one of the first disciplines that will be revolutionized by quantum computing. Although universal quantum computers of practical scale may be years away, various approaches are currently being pursued to…

Quantum Physics · Physics 2021-01-29 Alexander Teplukhin , Brian K. Kendrick , Sergei Tretiak , Pavel A. Dub

Quantum annealers are an alternative approach to quantum computing which make use of the adiabatic theorem to efficiently find the ground state of a physically realizable Hamiltonian. Such devices are currently commercially available and…

Quantum Physics · Physics 2021-02-24 Justin Copenhaver , Adam Wasserman , Birgit Wehefritz-Kaufmann

Quantum chemical calculations are among the most promising applications for quantum computing. Implementations of dedicated quantum algorithms on available quantum hardware were so far, however, mostly limited to comparatively simple…

Quantum annealing is a heuristic optimization algorithm that exploits quantum evolution to approximately find lowest energy states. Quantum annealers have scaled up in recent years to tackle increasingly larger and more highly connected…

Quantum Physics · Physics 2025-07-04 Humberto Munoz Bauza , Daniel A. Lidar

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

Molecular simulations are widely regarded as leading candidates to demonstrate quantum advantage--defined as the point at which quantum methods surpass classical approaches in either accuracy or scale. Yet the qubit counts and error rates…

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…

In this work we investigate methods to improve the efficiency and scalability of quantum algorithms for quantum chemistry applications. We propose a transformation of the electronic structure Hamiltonian in the second quantization framework…

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 Ising model, implemented on D-Wave QPUs, are…

Quantum Physics · Physics 2025-03-14 Elijah Pelofske

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

An iterative version of the qubit coupled cluster (QCC) method [I.G. Ryabinkin et al., J. Chem. Theory Comput. 14, 6317 (2019)] is proposed. The new method seeks to find ground electronic energies of molecules on noisy intermediate-scale…

Quantum Physics · Physics 2019-10-28 Ilya G. Ryabinkin , Robert A. Lang , Scott N. Genin , Artur F. Izmaylov

Quantum annealing is a type of analog computation that aims to use quantum mechanical fluctuations in search of optimal solutions of QUBO (quadratic unconstrained binary optimization) or, equivalently, Ising problems. Since NP-hard problems…

Quantum Physics · Physics 2023-04-14 Elijah Pelofske , Georg Hahn , Hristo N. Djidjev

Immense interest in quantum computing has prompted development of electronic structure methods that are suitable for quantum hardware. However, the slow pace at which quantum hardware progresses, forces researchers to implement their ideas…

Quantum Physics · Physics 2025-02-26 Ilya G. Ryabinkin , Seyyed Mehdi Hosseini Jenab , Scott N. Genin

Applications of quantum simulation algorithms to obtain electronic energies of molecules on noisy intermediate-scale quantum (NISQ) devices require careful consideration of resources describing the complex electron correlation effects. In…

Quantum Physics · Physics 2020-04-17 Mekena Metcalf , Nicholas P. Bauman , Karol Kowalski , Wibe A. de Jong

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 annealers (QA), such as D-Wave systems, become increasingly efficient and competitive at solving combinatorial optimization problems. However, solving problems that do not directly map the chip topology remains challenging for this…

Quantum Physics · Physics 2024-07-30 Valentin Gilbert , Stéphane Louise

Quantum annealing provides a promising route for the development of quantum optimization devices, but the usefulness of such devices will be limited in part by the range of implementable problems as dictated by hardware constraints. To…

Quantum Physics · Physics 2015-10-14 Walter Vinci , Tameem Albash , Gerardo Paz-Silva , Itay Hen , Daniel A. Lidar

We propose and experimentally demonstrate sequential quantum computing (SQC), a paradigm that utilizes multiple homogeneous or heterogeneous quantum processors in hybrid classical-quantum workflows. In this manner, we are able to overcome…

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