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Materials simulations involving strongly correlated electrons pose fundamental challenges to state-of-the-art electronic structure methods but are hypothesized to be the ideal use case for quantum computing. To date, no quantum computer has…

Quantum Physics · Physics 2023-01-25 Jacob M. Clary , Eric B. Jones , Derek Vigil-Fowler , Christopher Chang , Peter Graf

The practical application of quantum technologies to chemical problems faces significant challenges, particularly in the treatment of realistic basis sets and the accurate inclusion of electron correlation effects. A direct approach to…

We present a four-component relativistic unitary coupled cluster method for molecules. We have used commutator-based non-perturbative approximation using the ''Bernoulli expansion'' to derive an approximation to the relativistic unitary…

Chemical Physics · Physics 2024-03-06 Kamal Majee , Tamoghna Mukhopadhyay , Malaya K. Nayak , Achintya Kumar Dutta

In this paper, we present a parallel computing method for the coupled-cluster singles and doubles (CCSD) in periodic systems. The CCSD in periodic systems solves simultaneous equations for single-excitation and double-excitation amplitudes.…

Strongly Correlated Electrons · Physics 2019-11-04 Takumi Yamashita , Taichi Kosugi , Yu-ichiro Matsushita , Tetsuya Sakurai

Current approaches to fault-tolerant quantum computation will not enable useful quantum computation on near-term devices of 50 to 100 qubits. Leading proposals, such as the color code and surface code schemes, must devote a large fraction…

Quantum Physics · Physics 2017-11-08 Peter D. Johnson , Jonathan Romero , Jonathan Olson , Yudong Cao , Alán Aspuru-Guzik

This paper establishes the Quantum Voronovskaya--Damasclin (QVD) Theorem, providing a complete asymptotic characterization of Quantum Neural Network Operators in the approximation of arbitrary quantum channels. The result extends the…

Quantum Physics · Physics 2026-03-20 Rômulo Damasclin Chaves dos Santos

One of the key applications for quantum computers will be the simulation of other quantum systems that arise in chemistry, materials science, etc, in order to accelerate the process of discovery. It is important to ask: Can this be achieved…

Quantum Physics · Physics 2017-07-05 Ying Li , Simon C. Benjamin

Quantum computers can be used to address molecular structure, materials science and condensed matter physics problems, which currently stretch the limits of existing high-performance computing resources. Finding exact numerical solutions to…

Approximating adequate number of clusters in multidimensional data is an open area of research, given a level of compromise made on the quality of acceptable results. The manuscript addresses the issue by formulating a transductive…

Computer Vision and Pattern Recognition · Computer Science 2015-03-17 Shriprakash Sinha

Despite advances in the development of quantum computers, the practical application of quantum algorithms requiring deep circuit depths or high-fidelity transformations remains outside the current range of the so-called noisy…

Combinatorial optimization is a promising application for near-term quantum computers, however, identifying performant algorithms suited to noisy quantum hardware remains as an important goal to potentially realizing quantum computational…

Quantum Physics · Physics 2025-04-01 Titus D. Morris , Ananth Kaushik , Martin Roetteler , Phillip C. Lotshaw

We develop a Vector Quantized Spectral Clustering (VQSC) algorithm that is a combination of Spectral Clustering (SC) and Vector Quantization (VQ) sampling for grouping Soybean genomes. The inspiration here is to use SC for its accuracy and…

Quantitative Methods · Quantitative Biology 2018-10-02 Aditya A. Shastri , Kapil Ahuja , Milind B. Ratnaparkhe , Aditya Shah , Aishwary Gagrani , Anant Lal

Variational Quantum Circuits (VQC) lie at the forefront of quantum machine learning research. Still, the use of quantum networks for real data processing remains challenging as the number of available qubits cannot accommodate a large…

Quantum Physics · Physics 2024-09-06 G. Maragkopoulos , A. Mandilara , A. Tsili , D. Syvridis

We propose a hybrid quantum-classical algorithm to compute approximate solutions of binary combinatorial problems. We employ a shallow-depth quantum circuit to implement a unitary and Hermitian operator that block-encodes the weighted…

Quantum Physics · Physics 2023-06-16 Natacha Kuete Meli , Florian Mannel , Jan Lellmann

Optical continuous-variable cluster states (CVCSs) in combination with Gottesman-Kitaev-Preskill~(GKP) qubits enable fault-tolerant quantum computation so long as these resources are of high enough quality. Previous studies concluded that a…

Many-body entanglement is an essential resource for many quantum technologies, but its scalable generation has been challenging on qubit platforms. However, the generation of continuous-variable (CV) entanglement can be extremely efficient,…

Quantum Physics · Physics 2026-01-29 Zhihua Han , Hoi-Kwan Lau

The technology of Quantum Computing (QC) is continuously evolving, as researchers explore new technologies and the public gains access to quantum computers with an increasing number of qubits. In addition, the research community and…

Continuous-variable (CV) cluster states are a universal quantum computing platform that has experimentally out-scaled qubit platforms by orders of magnitude. Room-temperature implementation of CV cluster states has been achieved with…

We introduce a new scalable variational Gaussian process approximation which provides a high fidelity approximation while retaining general applicability. We propose the harmonic kernel decomposition (HKD), which uses Fourier series to…

Machine Learning · Computer Science 2021-06-14 Shengyang Sun , Jiaxin Shi , Andrew Gordon Wilson , Roger Grosse

Traditional methods in quantum chemistry rely on Hartree-Fock-based Slater-determinant (SD) representations, whose underlying zeroth-order picture assumes separability by particle. Here, we explore a radically different approach, based on…

Quantum Physics · Physics 2022-03-02 Bill Poirier , Jonathan Jerke