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Data-driven approaches such as deep learning can result in predictive models for material properties with exceptional accuracy and efficiency. However, in many applications, data is sparse, severely limiting their accuracy and…

Machine Learning · Computer Science 2025-10-29 Robert J Appleton , Brian C Barnes , Alejandro Strachan

We present a quantum-classical hybrid algorithm that simulates electronic structures of periodic systems such as ground states and quasiparticle band structures. By extending the unitary coupled cluster (UCC) theory to describe crystals in…

Quantum Physics · Physics 2022-02-16 Nobuyuki Yoshioka , Takeshi Sato , Yuya O. Nakagawa , Yu-ya Ohnishi , Wataru Mizukami

A cardinal obstacle to performing quantum-mechanical simulations of strongly-correlated matter is that, with the theoretical tools presently available, sufficiently-accurate computations are often too expensive to be ever feasible. Here we…

Strongly Correlated Electrons · Physics 2021-02-10 John Rogers , Tsung-Han Lee , Sahar Pakdel , Wenhu Xu , Vladimir Dobrosavljević , Yong-Xin Yao , Ove Christiansen , Nicola Lanatà

The development of numerical methods capable of simulating realistic materials with strongly correlated electrons, with controllable errors, is a central challenge in quantum many-body physics. Here we describe how a hybrid between…

Strongly Correlated Electrons · Physics 2015-04-23 Alexei A. Kananenka , Emanuel Gull , Dominika Zgid

Quantum bits can be isolated to perform useful information-theoretic tasks, even though physical systems are fundamentally described by very high-dimensional operator algebras. This is because qubits can be consistently embedded into…

Quantum Physics · Physics 2023-10-04 Andrew J. P. Garner , Markus P. Mueller

Quantum sensing encompasses highly promising techniques with diverse applications including noise-reduced imaging, super-resolution microscopy as well as imaging and spectroscopy in challenging spectral ranges. These detection schemes use…

Quantum Physics · Physics 2022-11-23 Felix Riexinger , Mirco Kutas , Björn Haase , Michael Bortz , Georg von Freymann

A promising approach to study condensed-matter systems is to simulate them on an engineered quantum platform. However, achieving the accuracy needed to outperform classical methods has been an outstanding challenge. Here, using eighteen…

Quantum metrology research promises approaches to build new sensors that achieve the ultimate level of precision measurement and perform fundamentally better than modern sensors. Practical schemes that tolerate realistic fabrication…

Density matrix embedding theory (DMET) [Phys. Rev. Lett., 109, 186404 (2012)], introduced a new approach to quantum cluster embedding methods, whereby the mapping of strongly correlated bulk problems to an impurity with finite set of bath…

Strongly Correlated Electrons · Physics 2015-06-24 George H. Booth , Garnet Kin-Lic Chan

We study approximation of embeddings between finite dimensional L_p spaces in the quantum model of computation. For the quantum query complexity of this problem matching (up to logarithmic factors) upper and lower bounds are obtained. The…

Quantum Physics · Physics 2007-05-23 Stefan Heinrich

High precision measurements are essential to solve major scientific and technological challenges, from gravitational wave detection to healthcare diagnostics. Quantum sensing delivers greater precision, but an in-depth optimisation of…

Quantum embedding is a fundamental prerequisite for applying quantum machine learning techniques to classical data, and has substantial impacts on performance outcomes. In this study, we present Neural Quantum Embedding (NQE), a method that…

Quantum Physics · Physics 2024-08-12 Tak Hur , Israel F. Araujo , Daniel K. Park

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…

Recent improvements in control of quantum systems make it seem feasible to finally build a quantum computer within a decade. While it has been shown that such a quantum computer can in principle solve certain small electronic structure…

Quantum Physics · Physics 2016-09-27 Bela Bauer , Dave Wecker , Andrew J. Millis , Matthew B. Hastings , M. Troyer

We introduce DMET, a new quantum embedding theory for predicting ground-state properties of infinite systems. Like dynamical mean-field theory (DMFT), DMET maps the the bulk interacting system to a simpler impurity model and is exact in the…

Strongly Correlated Electrons · Physics 2015-03-20 Gerald Knizia , Garnet Kin-Lic Chan

Quantum metrology offers an enhanced performance in experiments such as gravitational wave-detection, magnetometry or atomic clocks frequency calibration. The enhancement, however, requires a delicate tuning of relevant quantum features…

Quantum Physics · Physics 2013-07-25 Jan Kolodynski , Rafal Demkowicz-Dobrzanski

A multiscale QM/classical approach is presented, that is able to model the optical properties of complex nanostructures composed of a molecular system adsorbed on metal nanoparticles. The latter are described by a combined…

Chemical Physics · Physics 2024-10-29 Pablo Grobas Illobre , Piero Lafiosca , Luca Bonatti , Tommaso Giovannini , Chiara Cappelli

Computing ground-state properties of molecules is a promising application for quantum computers operating in concert with classical high-performance computing resources. Quantum embedding methods are a family of algorithms particularly…

Fitting geometric models onto outlier contaminated data is provably intractable. Many computer vision systems rely on random sampling heuristics to solve robust fitting, which do not provide optimality guarantees and error bounds. It is…

Computer Vision and Pattern Recognition · Computer Science 2022-06-28 Anh-Dzung Doan , Michele Sasdelli , David Suter , Tat-Jun Chin

We present an efficient implementation of ab initio many-body quantum embedding and local correlation methods for infinite periodic systems through translational symmetry adapted interpolative separable density fitting, an approach which…

Strongly Correlated Electrons · Physics 2026-01-26 Junjie Yang , Ning Zhang , Shunyue Yuan , Jincheng Yu , Hong-Zhou Ye , Garnet Chan
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