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Molecular dynamics simulations are indispensable for exploring the behavior of atoms and molecules. Grounded in quantum mechanical principles, quantum molecular dynamics provides high predictive power but its computational cost is dominated…

Chemical Physics · Physics 2025-09-10 Siu Wun Cheung , Youngsoo Choi , Jean-Luc Fattebert , Daniel Osei-Kuffuor

Quantum computers hold promise to improve the efficiency of quantum simulations of materials and to enable the investigation of systems and properties more complex than tractable at present on classical architectures. Here, we discuss…

Quantum Physics · Physics 2022-05-03 Christian Vorwerk , Nan Sheng , Marco Govoni , Benchen Huang , Giulia Galli

Qualitative modelling is a technique integrating the fields of theoretical computer science, artificial intelligence and the physical and biological sciences. The aim is to be able to model the behaviour of systems without estimating…

Computational Engineering, Finance, and Science · Computer Science 2012-09-19 Thomas W. Kelsey , Lars Kotthoff , Christoffer A. Jefferson , Stephen A. Linton , Ian Miguel , Peter Nightingale , Ian P. Gent

Quantum simulation, the simulation of quantum processes on quantum computers, suggests a path forward for the efficient simulation of problems in condensed-matter physics, quantum chemistry, and materials science. While the majority of…

Quantum Physics · Physics 2022-10-03 Paul K. Faehrmann , Mark Steudtner , Richard Kueng , Maria Kieferova , Jens Eisert

Quantum simulation is a leading candidate for demonstrating practical quantum advantage over classical computation, as it is believed to provide exponentially more compute power than any classical system. It offers new means of studying the…

Quantum Physics · Physics 2026-01-23 Maja Franz , Lukas Schmidbauer , Joshua Ammermann , Ina Schaefer , Wolfgang Mauerer

The Fermi-Hubbard model is a fundamental model in condensed matter physics that describes strongly correlated electrons. On the other hand, quantum computers are emerging as powerful tools for exploring the complex dynamics of these quantum…

Quantum Physics · Physics 2026-05-27 Talal Ahmed Chowdhury , Vladimir Korepin , Vincent R. Pascuzzi , Kwangmin Yu

Computational models are quantitative representations of systems. By analyzing and comparing the outputs of such models, it is possible to gain a better understanding of the system itself. Though as the complexity of model outputs…

Machine Learning · Computer Science 2022-12-13 Colin G. Cess , Stacey D. Finley

Quantum simulation is a potentially powerful application of quantum computing, holding the promise to be able to emulate interesting quantum systems beyond the reach of classical computing methods. Despite such promising applications, and…

Quantum Physics · Physics 2022-10-07 Kaelyn J. Ferris , A. J. Rasmusson , Nicholas T. Bronn , Olivia Lanes

Quantum simulation provides a powerful route for exploring many-body phenomena beyond the capabilities of classical computation. Existing approaches typically proceed in the forward direction: a model Hamiltonian is specified, implemented…

We present an algorithm to simulate genuine, measurement-conditioned quantum trajectories for a class of non-Markovian systems, using a collision model for the environment. We derive two versions of the algorithm, the first corresponding to…

Quantum Physics · Physics 2019-11-26 S. J. Whalen

Recently developed quantum algorithms suggest that quantum computers can solve certain problems and perform certain tasks more efficiently than conventional computers. Among other reasons, this is due to the possibility of creating…

Quantum Physics · Physics 2007-05-23 Rolando D. Somma

In the modern world, facial identification is an extremely important task in which many applications rely on high performing algorithms to detect faces efficiently. Whilst classical methods of SVM and k-NN commonly used may perform to a…

Quantum Physics · Physics 2020-08-31 Philip Easom-McCaldin , Ahmed Bouridane , Ammar Belatreche , Richard Jiang

Quantum light-matter interfaces are at the heart of photonic quantum technologies. Quantum memories for photons, where non-classical states of photons are mapped onto stationary matter states and preserved for subsequent retrieval, are…

Stochastic models of biochemical reaction networks are widely used to capture intrinsic noise in cellular systems. The typical formulation of these models are based on Markov processes for which there is extensive research on efficient…

Molecular Networks · Quantitative Biology 2025-12-03 Thomas P. Steele , David J. Warne

Classical simulations of time-dependent quantum systems are widely used in quantum control research. In particular, these simulations are commonly used to host iterative optimal control algorithms. This is convenient for algorithms that are…

Quantum Physics · Physics 2021-11-23 Tyler Jones , Kaiah Steven , Xavier Poncini , Matthew Rose , Arkady Fedorov

In the infectious disease literature, significant effort has been devoted to studying dynamics at a single scale. For example, compartmental models describing population-level dynamics are often formulated using differential equations. In…

Populations and Evolution · Quantitative Biology 2025-04-16 Yuan Yin , Jennifer A. Flegg , Mark B. Flegg

We discuss the simulation of a complex dynamical system, the so-called quantum sawtooth map model, on a quantum computer. We show that a quantum computer can be used to efficiently extract relevant physical information for this model. It is…

Quantum Physics · Physics 2007-05-23 Giuliano Benenti , Giulio Casati , Simone Montangero

Classical machine learning theory and theory of quantum computations are among of the most rapidly developing scientific areas in our days. In recent years, researchers investigated if quantum computing can help to improve classical machine…

Quantum Physics · Physics 2019-06-26 D. V. Fastovets , Yu. I. Bogdanov , B. I. Bantysh , V. F. Lukichev

A large class of linear memory differential equations in one dimension, where the evolution depends on the whole history, can be equivalently described as a projection of a Markov process living in a higher dimensional space. Starting with…

Classical Analysis and ODEs · Mathematics 2018-04-09 Artur Stephan , Holger Stephan

The computational cost of exact methods for quantum simulation using classical computers grows exponentially with system size. As a consequence, these techniques can only be applied to small systems. By contrast, we demonstrate that quantum…

Quantum Physics · Physics 2008-12-17 Ivan Kassal , Stephen P. Jordan , Peter J. Love , Masoud Mohseni , Alán Aspuru-Guzik
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