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Accurate simulation of dynamical processes in molecules and reactions is among the most challenging problems in quantum chemistry. Quantum computers promise efficient chemical simulation, but the existing quantum algorithms require many…

The intersection of quantum computing and quantum chemistry represents a promising frontier for achieving quantum utility in domains of both scientific and societal relevance. Owing to the exponential growth of classical resource…

We present a large-scale experimental study of quantum-computing-based molecular simulation carried out on IQM's Sirius 24-qubit superconducting processor, utilizing up to 16 operational qubits. The work employs Sample-based Quantum…

Quantum simulations of electronic structure and strongly correlated quantum phases are widely regarded as among the most promising applications of quantum computing. These computations naturally benefit from native fermionic encodings,…

Simulating quantum computation on a classical computer is a difficult problem. The matrices representing quantum gates, and the vectors modeling qubit states grow exponentially with an increase in the number of qubits. However, by using a…

Quantum Physics · Physics 2007-05-23 George F. Viamontes , Igor L. Markov , John P. Hayes

Quantum computing holds promise for revolutionizing computational chemistry simulations, particularly in drug discovery. However, current quantum hardware is limited by noise and scale, necessitating bridging technologies. This study…

Quantum Physics · Physics 2025-04-16 Marek Kowalik , Ellen Michael , Peter Pogány , Phalgun Lolur

Quantum circuit simulation is crucial for the development of quantum algorithms, particularly given the high cost and noise limitations of physical quantum hardware. While full-state quantum circuit simulation is commonly employed for…

Quantum Physics · Physics 2026-04-15 Chuan-Chi Wang , Yan-Jie Wang , Chia-Heng Tu , Shih-Hao Hung

We present efficient quantum circuits for fermionic excitation operators tailored for ion trap quantum computers exhibiting the M{\o}lmer-S{\o}rensen (MS) gate. Such operators commonly arise in the study of static and dynamic properties in…

Quantum Physics · Physics 2026-04-14 Thierry N. Kaldenbach , Erik Schultheis , Niklas Stewen , Gabriel Breuil

Modeling non-Hermitian Hamiltonians is increasingly important in classical and quantum domains, especially when studying open systems, $PT$ symmetry, and resonances. However, the quantum simulation of these models has been limited by the…

Quantum Physics · Physics 2025-02-20 Anastashia Jebraeilli , Michael R. Geller

Simulating chemical systems on quantum computers has been limited to a few electrons in a minimal basis. We demonstrate experimentally that the virtual quantum subspace expansion [Phys. Rev. X 10, 011004 (2020)] can achieve full basis…

Quantum Physics · Physics 2021-06-16 Miroslav Urbanek , Daan Camps , Roel Van Beeumen , Wibe A. de Jong

We analyze the efficiency of quantum simulations of fermionic and bosonic models in trapped ions. In particular, we study the optimal time of entangling gates and the required number of total elementary gates. Furthermore, we exemplify…

Quantum Physics · Physics 2014-06-19 L. Lamata , A. Mezzacapo , J. Casanova , E. Solano

The Gottesman-Knill theorem says that a stabilizer circuit -- that is, a quantum circuit consisting solely of CNOT, Hadamard, and phase gates -- can be simulated efficiently on a classical computer. This paper improves that theorem in…

Quantum Physics · Physics 2009-11-10 Scott Aaronson , Daniel Gottesman

Quantum simulation holds the promise of improving the atomic simulations used at EDF to anticipate the ageing of materials of interest. One simulator in particular seems well suited to modeling interacting electrons: the Rydberg atoms…

Quantum Physics · Physics 2024-06-21 Antoine Michel

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

We show how techniques from machine learning and optimization can be used to find circuits of photonic quantum computers that perform a desired transformation between input and output states. In the simplest case of a single input state,…

We use quantum link models to construct a quantum simulator for U(N) and SU(N) lattice gauge theories. These models replace Wilson's classical link variables by quantum link operators, reducing the link Hilbert space to a finite number of…

High Energy Physics - Lattice · Physics 2013-11-21 Michael Bögli

Quantum simulation using time evolution in phase estimation-based quantum algorithms can yield unbiased solutions of classically intractable models. However, long runtimes open such algorithms to decoherence. We show how measurement-based…

Quantum Physics · Physics 2022-08-11 Woo-Ram Lee , Zhangjie Qin , Robert Raussendorf , Eran Sela , V. W. Scarola

Quantum computers hold promise to enable efficient simulations of the properties of molecules and materials; however, at present they only permit ab initio calculations of a few atoms, due to a limited number of qubits. In order to harness…

Materials Science · Physics 2020-07-07 He Ma , Marco Govoni , Giulia Galli

Compressible models extend the domain of simulable systems in quantum computers, but little is known about their precise limits of applicability. Using the theory of compressible matchgate circuits, we identify a class of quadratic…

Quantum Physics · Physics 2022-07-29 Guillermo Blázquez-Cruz , Pierre-Luc Dallaire-Demers

We propose efficient classical algorithms which (strongly) simulate the action of bosonic linear optics circuits applied to superpositions of Gaussian states. Our approach relies on an augmented covariance matrix formalism to keep track of…

Quantum Physics · Physics 2025-11-19 Beatriz Dias , Robert Koenig
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