Quantum Algorithms and Applications for Open Quantum Systems

Chemical Reviews, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 4, 2025

Accurate models for open quantum systems─quantum states that have nontrivial interactions with their environment─may aid in the advancement of a diverse array fields, including computation, informatics, and prediction static dynamic molecular properties. In recent years, algorithms been leveraged computation systems as predicted advantage devices over classical ones may allow previously inaccessible applications. Accomplishing this goal will require input expertise from different research perspectives, well training workforce, making compilation current methods treating both useful timely. Review, we first provide succinct summary fundamental theory then delve into discussion on algorithms. We conclude pertinent applications, demonstrating applicability field to realistic chemical, biological, material systems.

Language: Английский

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Establishing a New Benchmark in Quantum Computational Advantage with 105-qubit Zuchongzhi 3.0 Processor

Physical Review Letters, Journal Year: 2025, Volume and Issue: 134(9)

Published: March 3, 2025

In the relentless pursuit of quantum computational advantage, we present a significant advancement with development Zuchongzhi 3.0. This superconducting computer prototype, comprising 105 qubits, achieves high operational fidelities, single-qubit gates, two-qubit and readout fidelity at 99.90%, 99.62%, 99.13%, respectively. Our experiments an 83-qubit, 32-cycle random circuit sampling on 3.0 highlight its superior performance, achieving 1×10^{6} samples in just few hundred seconds. task is estimated to be infeasible most powerful classical supercomputers, Frontier, which would require approximately 5.9×10^{9} yr replicate task. leap processing power places simulation cost 6 orders magnitude beyond Google's SYC-67 SYC-70 [Morvan et al., Nature 634, 328 (2024)10.1038/s41586-024-07998-6], firmly establishing new benchmark advantage. work not only advances frontiers computing but also lays groundwork for era where processors play essential role tackling sophisticated real-world challenges.

Language: Английский

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Simulating Vibrational Dynamics on Bosonic Quantum Devices

The Journal of Physical Chemistry Letters, Journal Year: 2025, Volume and Issue: unknown, P. 1855 - 1864

Published: Feb. 14, 2025

Bosonic quantum devices, which utilize harmonic oscillator modes to encode information, are emerging as a promising alternative conventional qubit-based especially for the simulation of vibrational dynamics and spectroscopy. We present framework digital under anharmonic potentials on these bosonic devices. In our approach, Hamiltonian is decomposed into solvable fragments that can be used currently available hardware. Specifically, we have extended Cartan subalgebra approach [Yen, T.C.; Izmaylov, A. F. PRX Quantum 2, 2021; 040320]- method decomposing Hamiltonians parts- operators, enabling us construct efficiently diagonalized using Bogoliubov transforms. The tested tunneling in model two-dimensional double-well potential calculations eigenenergies small molecules. Our fragmentation scheme provides new simulations hardware multimode dynamics.

Language: Английский

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Shaping photons: Quantum information processing with bosonic cQED

Applied Physics Letters, Journal Year: 2024, Volume and Issue: 124(8)

Published: Feb. 19, 2024

With its rich dynamics, the quantum harmonic oscillator is an innate platform for understanding real-world systems and could even excel as heart of a computer. A particularly promising rapidly advancing that harnesses oscillators information processing bosonic circuit electrodynamics (cQED) system. In this article, we provide perspectives on progress, challenges, future directions in building cQED We describe main hardware blocks how they facilitate error correction, metrology, simulation. conclude with our views key challenges lie horizon, well scientific cultural strategies overcoming them practical computer hardware.

Language: Английский

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A hybrid quantum algorithm to detect conical intersections

Quantum, Journal Year: 2024, Volume and Issue: 8, P. 1259 - 1259

Published: Feb. 20, 2024

Conical intersections are topologically protected crossings between the potential energy surfaces of a molecular Hamiltonian, known to play an important role in chemical processes such as photoisomerization and non-radiative relaxation. They characterized by non-zero Berry phase, which is topological invariant defined on closed path atomic coordinate space, taking value π when encircles intersection manifold. In this work, we show that for real Hamiltonians, phase can be obtained tracing local optimum variational ansatz along chosen estimating overlap initial final state with control-free Hadamard test. Moreover, discretizing into xmlns:mml="http://www.w3.org/1998/Math/MathML">N points, use single Newton-Raphson steps update our non-variationally. Finally, since only take two discrete values (0 or xmlns:mml="http://www.w3.org/1998/Math/MathML">π), procedure succeeds even cumulative error bounded constant; allows us bound total sampling cost readily verify success procedure. We demonstrate numerically application algorithm small toy models formaldimine molecule (H2C=NH).

Language: Английский

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Quantum Computation of Hydrogen Bond Dynamics and Vibrational Spectra

The Journal of Physical Chemistry Letters, Journal Year: 2023, Volume and Issue: 14(32), P. 7256 - 7263

Published: Aug. 9, 2023

Calculating observable properties of chemical systems is often classically intractable and widely viewed as a promising application quantum information processing. Here, we introduce new framework for solving generic dynamics problems using logic. We experimentally demonstrate proof-of-principle instance our method the QSCOUT ion-trap computer, where drive system to emulate wavepacket corresponding shared-proton within an anharmonic hydrogen bonded system. Following experimental creation propagation on ion-trap, extract measurement observables such its time-dependent spatial projection characteristic vibrational frequencies spectroscopic accuracy (3.3 cm–1 wavenumbers, >99.9% fidelity). Our approach introduces paradigm studying spectra molecules opens possibility describe behavior complex molecular processes with unprecedented accuracy.

Language: Английский

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Simulating Chemistry on Bosonic Quantum Devices

Journal of Chemical Theory and Computation, Journal Year: 2024, Volume and Issue: 20(15), P. 6426 - 6441

Published: July 28, 2024

Bosonic quantum devices offer a novel approach to realize computations, where the two-level system (

Language: Английский

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Quantum Simulation of Polarized Light-Induced Electron Transfer with a Trapped-Ion Qutrit System

The Journal of Physical Chemistry Letters, Journal Year: 2023, Volume and Issue: 14(26), P. 6071 - 6077

Published: June 26, 2023

Electron transfer within and between molecules is crucial in chemistry, biochemistry, energy science. This study describes a quantum simulation method that explores the influence of light polarization on electron two molecules. By implementing precise coherent control among states trapped atomic ions, we can induce dynamics mimic electron-transfer We use three-level systems (qutrits), rather than traditional two-level (qubits), to enhance efficiency realize high-fidelity simulations dynamics. treat interference coupling pathways from donor with degenerate excited an acceptor analyze efficiency. also examine potential error sources enter simulations. The trapped-ion have favorable scalings system size compared those classical computers, promising access richer

Language: Английский

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Simulating Electronic Structure on Bosonic Quantum Computers

Journal of Chemical Theory and Computation, Journal Year: 2025, Volume and Issue: unknown

Published: March 3, 2025

Quantum harmonic oscillators, or qumodes, provide a promising and versatile framework for quantum computing. Unlike qubits, which are limited to two discrete levels, qumodes have an infinite-dimensional Hilbert space, making them well-suited wide range of simulations. In this work, we focus on the molecular electronic structure problem. We propose approach map Hamiltonian into qumode bosonic problem that can be solved devices using variational eigensolver (VQE). Our is demonstrated through computation ground potential energy surfaces benchmark model systems, including H2 linear H4 molecule. The preparation trial states expectation values leverage universal ansatzes based echoed conditional displacement (ECD), selective number-dependent arbitrary phase (SNAP) operations. These techniques compatible with circuit electrodynamics (cQED) platforms, where microwave resonators coupled superconducting transmon qubits offer efficient hardware realization. This work establishes new pathway simulating many-fermion highlighting hybrid qubit-qumode in advancing computational chemistry.

Language: Английский

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Optical-cavity manipulation strategies of singlet fission systems mediated by conical intersections: Insights from fully quantum simulations

The Journal of Chemical Physics, Journal Year: 2025, Volume and Issue: 162(13)

Published: April 1, 2025

We offer a theoretical perspective on simulation and engineering of polaritonic conical-intersection-driven singlet-fission (SF) materials. begin by examining fundamental models, including Tavis–Cummings Holstein–Tavis–Cummings Hamiltonians, exploring how disorder, non-Hermitian effects, finite temperature conditions impact their dynamics, setting the stage for studying conical intersections crucial role in SF. Using rubrene as an example applying numerically accurate Davydov Ansatz methodology, we derive dynamic spectroscopic responses system demonstrate key mechanisms capable SF manipulation, viz. cavity-induced enhancement/weakening/suppression SF, population localization singlet state via cavity-mode excitation, polaron/polariton decoupling, collective enhancement outline unsolved problems challenges field share our views development future lines research. emphasize significance careful modeling cascades high excitation manifolds envisage that geometric phase effects may remarkably affect dynamics yield. argue microscopic interpretation main regulatory can substantially deepen understanding this process, thereby providing novel ideas solutions improving conversion efficiency photovoltaics.

Language: Английский

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