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Related papers: Simulating Chemistry on Bosonic Quantum Devices

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One of the primary challenges prohibiting demonstrations of practical quantum advantages for near-term devices amounts to excessive measurement overheads for estimating relevant physical quantities such as ground state energies. However,…

Quantum computers are inherently affected by noise. While in the long-term error correction codes will account for noise at the cost of increasing physical qubits, in the near-term the performance of any quantum algorithm should be tested…

The realization of quantum advantage with noisy-intermediate-scale quantum (NISQ) machines has become one of the major challenges in computational sciences. Maintaining coherence of a physical system with more than ten qubits is a critical…

We present an efficient quantum algorithm for beyond-Born-Oppenheimer molecular energy computations. Our approach combines the quantum full configuration interaction method with the nuclear orbital plus molecular orbital (NOMO) method. We…

Quantum Physics · Physics 2016-02-24 Libor Veis , Jakub Višňák , Hiroaki Nishizawa , Hiromi Nakai , Jiří Pittner

The molecular energies of chemical systems have been successfully calculated on quantum computers, however, more attention has been paid to the dynamic process of chemical reactions in practical application, especially in catalyst design,…

Quantum Physics · Physics 2023-03-28 Qiankun Gong , Qingmin Man , Ye Li , Menghan Dou , Qingchun Wang , Yu-Chun Wu , Guo-Ping Guo

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

Quantum computing can be employed in computer-aided music composition to control various attributes of the music at different structural levels. This article describes the application of quantum simulation to model compositional decision…

Quantum Physics · Physics 2025-05-28 Christopher Dobrian , Omar Costa Hamido

Quantum computers promise to revolutionise electronic simulations by overcoming the exponential scaling of many-electron problems. While electronic wave functions can be represented using a product of fermionic unitary operators, shallow…

Quantum Physics · Physics 2022-07-04 Hugh G. A. Burton , Daniel Marti-Dafcik , David P. Tew , David J. Wales

Light-matter coupled Hamiltonians are central to cavity materials engineering and polaritonic chemistry, but are challenging to simulate with classical hardware due to the scaling of the Hilbert space with the number of quantum photon modes…

Quantum Physics · Physics 2025-10-21 Francesco Troisi , Simone Latini , Heiko Appel , Martin Lüders , Angel Rubio , Ivano Tavernelli

Quantum computational chemistry has emerged as an important application of quantum computing. Hybrid quantum-classical computing methods, such as variational quantum eigensolvers (VQE), have been designed as promising solutions to quantum…

Solving differential equations is one of the most promising applications of quantum computing. Recently we proposed an efficient quantum algorithm for solving one-dimensional Poisson equation avoiding the need to perform quantum arithmetic…

Quantum simulation involves engineering devices to implement different Hamiltonians and measuring their quantized spectra to study quantum many-body systems. Recent developments in topological photonics have shown the possibility of…

Quantum Physics · Physics 2021-06-29 Abhi Saxena , Yueyang Chen , Zhuoran Fang , Arka Majumdar

We report the quantum computing of reacting flows by simulating the Hamiltonian dynamics. The scalar transport equation for reacting flows is transformed into a Hamiltonian system, mapping the dissipative and non-Hermitian problem in…

Fluid Dynamics · Physics 2024-07-30 Zhen Lu , Yue Yang

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

We introduce a framework for simulating, on an $(n+1)$-qubit quantum computer, the action of a Gaussian Bosonic (GB) circuit on a state over $2^n$ modes. Specifically, we encode the initial bosonic state's expectation values over quadrature…

Quantum Physics · Physics 2025-02-24 Alice Barthe , M. Cerezo , Andrew T. Sornborger , Martin Larocca , Diego García-Martín

The ability to engineer and manipulate different types of quantum mechanical objects allows us to take advantage of their unique properties and create useful hybrid technologies. Thus far, complex quantum states and exquisite quantum…

The accurate computational determination of chemical, materials, biological, and atmospheric properties has critical impact on a wide range of health and environmental problems, but is deeply limited by the computational scaling of…

Chemical Physics · Physics 2021-06-09 Debadrita Saha , Srinivasan S. Iyengar , Philip Richerme , Jeremy M. Smith , Amr Sabry

Resolving quantum many-body problems represents one of the greatest challenges in physics and physical chemistry, due to the prohibitively large computational resources that would be required by using classical computers. A solution has…

We demonstrate the feasibility of quantum computing for large-scale, realistic chemical systems through the development of a new interface using a quantum circuit simulator and CP2K, a highly efficient first-principles calculation software.…

Chemical Physics · Physics 2025-06-24 Tomoya Shiota , Klaas Gunst , Toshio Mori , Toru Shiozaki , Wataru Mizukami

With the birth of Noisy Intermediate Scale Quantum (NISQ) devices and the verification of "quantum supremacy" in random number sampling and boson sampling, more and more fields hope to use quantum computers to solve specific problems, such…

Programming Languages · Computer Science 2023-01-02 Menghan Dou , Tianrui Zou , Yuan Fang , Jing Wang , Dongyi Zhao , Lei Yu , Boying Chen , Wenbo Guo , Ye Li , Zhaoyun Chen , Guoping Guo
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