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In this work, we aim to solve a practical use-case of unsupervised clustering which has applications in predictive maintenance in the energy operations sector using quantum computers. Using only cloud access to quantum computers, we…

Quantum Physics · Physics 2022-09-13 Stephen DiAdamo , Corey O'Meara , Giorgio Cortiana , Juan Bernabé-Moreno

Accurate many-body treatments of condensed-phase systems are challenging because correlated solvers such as full configuration interaction (FCI) and the density matrix renormalization group (DMRG) scale exponentially with system size.…

Extracting the Hamiltonian of interacting quantum-information processing systems is a keystone problem in the realization of complex phenomena and large-scale quantum computers. The remarkable growth of the field increasingly requires…

We propose quantum-selected configuration interaction (QSCI), a class of hybrid quantum-classical algorithms for calculating the ground- and excited-state energies of many-electron Hamiltonians on noisy quantum devices. Suppose that an…

Quantum Physics · Physics 2023-02-23 Keita Kanno , Masaya Kohda , Ryosuke Imai , Sho Koh , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa

In this Communication, we provide numerical evidence indicating that the standard single-reference coupled-cluster (CC) energies can be calculated alternatively to its copybook definition. We demonstrate that the CC energies can be…

Quantum Physics · Physics 2023-02-15 Karol Kowalski

Coupled cluster theory is one of the most accurate electronic structure methods for predicting ground and excited state chemistry. However, the presence of numerical artifacts at electronic degeneracies, such as complex energies, has made…

Chemical Physics · Physics 2024-05-16 Eirik F. Kjønstad , Sara Angelico , Henrik Koch

This work introduces a hybrid quantum-classical method to correlation clustering, a graph-based unsupervised learning task that seeks to partition the nodes in a graph based on pairwise agreement and disagreement. In particular, we adapt…

We introduce a unitary coupled-cluster (UCC) ansatz termed $k$-UpCCGSD that is based on a family of sparse generalized doubles (D) operators which provides an affordable and systematically improvable unitary coupled-cluster wavefunction…

Quantum Physics · Physics 2019-01-07 Joonho Lee , William J. Huggins , Martin Head-Gordon , K. Birgitta Whaley

In this paper, we introduce stochastic simulated quantum annealing (SSQA) for large-scale combinatorial optimization problems. SSQA is designed based on stochastic computing and quantum Monte Carlo, which can simulate quantum annealing (QA)…

Quantum Physics · Physics 2024-07-25 Naoya Onizawa , Ryoma Sasaki , Duckgyu Shin , Warren J. Gross , Takahiro Hanyu

Unitary coupled cluster (UCC), originally developed as a variational alternative to the popular traditional coupled cluster method, has seen a resurgence as a functional form for use on quantum computers. However, the number of excitors…

Chemical Physics · Physics 2021-01-07 Maria-Andreea Filip , Alex J. W. Thom

Coupling qubits together towards large-scale integration is a key point for realizing a quantum computer. We study the capacitively coupled superconducting phase qubits using two diagonalization methods, which are very efficient to obtain…

Superconductivity · Physics 2009-11-11 Tao Wu , Zheng Li , Jianshe Liu

Computing electronic structures of quantum systems is a key task underpinning many applications in photonics, solid-state physics, and quantum technologies. This task is typically performed through iterative algorithms to find the energy…

Quantum Physics · Physics 2026-02-03 Shaobo Zhang , Akib Karim , Harry M. Quiney , Muhammad Usman

The variational quantum eigensolver (VQE) algorithm combines the ability of quantum computers to efficiently compute expectation values with a classical optimization routine in order to approximate ground state energies of quantum systems.…

Simulating molecules using the Variational Quantum Eigensolver method is one of the promising applications for NISQ-era quantum computers. Designing an efficient ansatz to represent the electronic wave function is crucial in such…

Chemical Physics · Physics 2022-05-09 Dmitry A. Fedorov , Yuri Alexeev , Stephen K. Gray , Matthew Otten

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…

Dynamical decoupling (DD) is a low-overhead method for quantum error suppression. Despite extensive work in DD design, finding pulse sequences that optimally decouple computational qubits on noisy quantum hardware is not well understood. In…

Quantum Physics · Physics 2026-04-22 Christopher Tong , Helena Zhang , Bibek Pokharel

Here we present a quantum algorithm for clustering data based on a variational quantum circuit. The algorithm allows to classify data into many clusters, and can easily be implemented in few-qubit Noisy Intermediate-Scale Quantum (NISQ)…

Quantum Physics · Physics 2024-01-08 Pablo Bermejo , Roman Orus

Clustering is a fundamental task for analyzing unlabeled data based solely on its underlying distribution. Spectral clustering is a clustering method that represents a dataset as a graph and uses the relationships between data points.…

Quantum Physics · Physics 2025-04-01 Hyeong-Gyu Kim , Siheon Park , June-Koo Kevin Rhee

Contemporary deep learning, characterized by the training of cumbersome neural networks on massive datasets, confronts substantial computational hurdles. To alleviate heavy data storage burdens on limited hardware resources, numerous…

Computer Vision and Pattern Recognition · Computer Science 2024-12-24 Muquan Li , Dongyang Zhang , Qiang Dong , Xiurui Xie , Ke Qin

Dynamical decoupling is a long-established and effective way to suppress unwanted interactions in qubit systems, enabling advances in fields ranging from quantum metrology to quantum computing. For general qudit systems, however, comparable…

Quantum Physics · Physics 2026-04-20 Colin Read , Eduardo Serrano-Ensástiga , John Martin