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The identification and use of structure property relationships lies at the heart of the chemical sciences. Quantum mechanics forms the basis for the unbiased virtual exploration of chemical compound space (CCS), imposing substantial compute…

Chemical Physics · Physics 2019-11-01 Anders S. Christensen , O. Anatole von Lilienfeld

The interest in a system often resides in the interplay among different parameters governing its evolution. It is thus often required to access many of them at once for a complete description. Assessing how quantum enhancement in such…

Quantum Physics · Physics 2020-06-22 Francesco Albarelli , Marco Barbieri , Marco G. Genoni , Ilaria Gianani

We show that, apart from the usual area operator of non-perturbative quantum gravity, there exists another, closely related, operator that measures areas of surfaces. Both corresponding classical expressions yield the area. Quantum…

General Relativity and Quantum Cosmology · Physics 2010-04-06 Kirill Krasnov

In Quantum Mechanics operators must be hermitian and, in a direct product space, symmetric. These properties are saved by Lie algebra operators but not by those of quantum algebras. A possible correspondence between observables and quantum…

High Energy Physics - Theory · Physics 2009-11-07 E. Celeghini , M. A. del Olmo

Nuclear magnetic resonance (NMR) has been widely used in the context of quantum information processing (QIP). However, despite the great similarities between NMR and nuclear quadrupole resonance (NQR), no experimental implementation for QIP…

Category and multicategory theory provide abstract frameworks for describing structures and their compositions, with multicategories extending traditional categories to handle multi-input operations. These theories enable modular reasoning…

Category Theory · Mathematics 2025-11-18 Shih-Yu Chang

We discuss some basic issues that arise when one attempts to model quantum mechanical systems on a computer, and we describe the mathematical structure of the resulting discretized cannonical commutation relations.

funct-an · Mathematics 2008-02-03 William Arveson

We describe a quantum information processor (quantum computer) based on the hyperfine interactions between the conduction electrons and nuclear spins embedded in a two-dimensional electron system in the quantum-Hall regime. Nuclear spins…

Quantum Physics · Physics 2014-11-18 V. Privman , I. D. Vagner , G. Kventsel

We implement several non-binary logic systems using the spin dynamics of nuclear spins in nuclear magnetic resonance (NMR). The NMR system is a suitable test system because of its high degree of experimental control; findings from NMR…

Emerging Technologies · Computer Science 2015-12-03 Pedro M. Aguiar , Robert Hornby , Cameron McGarry , Simon O'Keefe , Angelika Sebald

We study quantum equivalents of non-commutative operators in quantum mechanics. Any matrix "$B$" satisfying the non-commuting relation $[A,B]\neq 0$ with "$A$", can be used via $B^{-1} AB$ to reproduce eigenvalues of "$A$". This…

Quantum Physics · Physics 2023-01-24 Biswanath Rath

Fundamental matrix operations and solving linear systems of equations are ubiquitous in scientific investigations. Using the "Sender-Receiver" model, we propose quantum algorithms for matrix operations such as matrix-vector product,…

Quantum Physics · Physics 2024-03-11 Wentao Qi , Alexandr I. Zenchuk , Asutosh Kumar , Junde Wu

Two-dimensional Nuclear Magnetic Resonance (NMR) is essential in molecular structure determination. The Nitrogen-Vacancy (NV) center in diamond has been proposed and developed as an outstanding quantum sensor to realize NMR in nanoscale. In…

Entanglement in quantum many-body systems is the key concept for future technology and science, opening up a possibility to explore uncharted realms in an enormously large Hilbert space. The hybrid quantum-classical algorithms have been…

Strongly Correlated Electrons · Physics 2023-08-02 Donggyu Kim , Pureum Noh , Hyun-Yong Lee , Eun-Gook Moon

Numerical simulation of quantum systems is crucial to further our understanding of natural phenomena. Many systems of key interest and importance, in areas such as superconducting materials and quantum chemistry, are thought to be described…

Quantum Physics · Physics 2010-11-17 Katherine L Brown , William J Munro , Vivien M Kendon

The nucleon spectral function in infinite nuclear matter is calculated in a quantum transport theoretical approach. Exploiting the known relation between collision rates and correlation functions the spectral function is derived…

Nuclear Theory · Physics 2009-11-06 J. Lehr , M. Effenberger , H. Lenske , S. Leupold , U. Mosel

Simulating molecules is believed to be one of the early-stage applications for quantum computers. Current state-of-the-art quantum computers are limited in size and coherence, therefore optimizing resources to execute quantum algorithms is…

Quantum Physics · Physics 2021-07-27 Kanav Setia , Richard Chen , Julia E. Rice , Antonio Mezzacapo , Marco Pistoia , James Whitfield

An introduction in quantum mechanical theory for NMR students which covers basic concepts and calculations.

Other Condensed Matter · Physics 2008-03-10 V. V. Korostelev

Feynman, in 1982, proposed the idea of using a quantum simulator to perform quantum simulations. A quantum simulator is basically a controllable quantum system that can mimic the dynamics of other quantum systems we wish to study. In this…

Quantum Physics · Physics 2017-01-13 Swathi S Hegde

Chemistry and materials science are widely regarded as potential killer application fields for quantum hardware. While the dream of unlocking unprecedented simulation capabilities remains compelling, quantum algorithm development must adapt…

Quantum Physics · Physics 2026-03-20 Davide Castaldo , Markus Reiher

Simulating quantum mechanics is known to be a difficult computational problem, especially when dealing with large systems. However, this difficulty may be overcome by using some controllable quantum system to study another less controllable…

Quantum Physics · Physics 2014-03-14 I. M. Georgescu , S. Ashhab , Franco Nori