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An adaptive variational quantum imaginary time evolution (AVQITE) approach is introduced that yields efficient representations of ground states for interacting Hamiltonians on near-term quantum computers. It is based on McLachlan's…

We propose an algorithm for computing real-time observables using a quantum processor while avoiding the need to prepare the full quantum state. This reduction in quantum resources is achieved by classically sampling configurations in…

高能物理 - 格点 · 物理学 2020-01-31 Siddhartha Harmalkar , Henry Lamm , Scott Lawrence

Accurate simulations of vibrational molecular spectra are expensive on conventional computers. Compared to the electronic structure problem, the vibrational structure problem with quantum computers is less investigated. In this work we…

The quantum simulation of real molecules and materials is one of the most highly anticipated applications of quantum computing. Algorithms for simulating electronic structure using a first-quantized plane wave representation are especially…

量子物理 · 物理学 2025-01-22 William J. Huggins , Oskar Leimkuhler , Torin F. Stetina , K. Birgitta Whaley

Quantum computing is believed to be particularly useful for the simulation of chemistry and materials, among the various applications. In recent years, there have been significant advancements in the development of near-term quantum…

量子物理 · 物理学 2022-10-12 Guoming Wang , Sukin Sim , Peter D. Johnson

Quantum simulation of molecular electronic structure is one of the most promising applications of quantum computing. However, achieving chemically accurate predictions for strongly correlated systems requires quantum phase estimation (QPE)…

量子物理 · 物理学 2026-03-31 Shota Kanasugi , Riki Toshio , Kazunori Maruyama , Hirotaka Oshima

Quantum state preparation is a fundamental primitive in quantum algorithms for encoding classical data into quantum amplitudes. We compare the cost of preparing general $n$-qubit states with real amplitudes using two common paradigms:…

量子物理 · 物理学 2026-05-20 Diyi Liu , Hanyu Wang , Shuchen Zhu , Jason Cong , Wibe A. de Jong , Di Fang , Zhen Huang , Costin Iancu , Chao Yang

Ubiquitous in quantum computing is the step to encode data into a quantum state. This process is called quantum state preparation, and its complexity for non-structured data is exponential on the number of qubits. Several works address this…

量子物理 · 物理学 2023-07-28 Israel F. Araujo , Carsten Blank , Ismael C. S. Araújo , Adenilton J. da Silva

The variational quantum imaginary time evolution (VarQITE) algorithm is a near-term method to prepare the ground state and Gibbs state of Hamiltonians. Finding an appropriate parameterization of the quantum circuit is crucial to the success…

量子物理 · 物理学 2023-07-26 Xiaoyang Wang , Yahui Chai , Maria Demidik , Xu Feng , Karl Jansen , Cenk Tüysüz

We present an efficient approach to simulate real-time quantum dynamics using Projected Variational Quantum Dynamics (PVQD), where the computational cost is reduced by strategically optimizing only a subset of the variational parameters at…

量子物理 · 物理学 2026-01-06 Harshdeep Singh , Sonjoy Majumder , Sabyashachi Mishra

The variational approach is a cornerstone of computational physics, considering both conventional and quantum computing computational platforms. The variational quantum eigensolver (VQE) algorithm aims to prepare the ground state of a…

量子物理 · 物理学 2022-12-16 Nikita Astrakhantsev , Guglielmo Mazzola , Ivano Tavernelli , Giuseppe Carleo

The direct compilation of algorithm-specific graph states in measurement-based quantum computation (MBQC) can lead to resource reductions in terms of circuit depth, entangling gates, and even the number of physical qubits. In this work, we…

Simulating vibrational dynamics is essential for understanding molecular structure, unlocking useful applications such as vibrational spectroscopy for high-fidelity chemical detection. Quantum algorithms for vibrational dynamics are…

Ground state preparation is a central application of quantum algorithms for electronic structure. We introduce the classical reservoir approach, a low cost variational ansatz tailored to near-term hardware, requiring only nearest-neighbor…

量子物理 · 物理学 2025-12-25 Zekun He , Dominika Zgid , A. F. Kemper , J. K. Freericks

The preparation of data in quantum states is a critical component in the design of quantum algorithms. The cost of this step can significantly limit the realization of quantum advantage in domains such as machine learning, finance, and…

量子物理 · 物理学 2026-04-10 Alessandro Berti , Francesco Ghisoni

Variational Quantum Eigensolvers (VQEs) represent a promising approach to computing molecular ground states and energies on modern quantum computers. These approaches use a classical computer to optimize the parameters of a trial wave…

Quantum systems in excited states are attracting significant interest with the advent of noisy intermediate scale quantum (NISQ) devices. While ground states of small molecular systems are typically explored using hybrid variational…

量子物理 · 物理学 2025-11-18 Cameron Cianci , Lea F. Santos , Victor S. Batista

Efficiently preparing approximate ground-states of large, strongly correlated systems on quantum hardware is challenging and yet nature is innately adept at this. This has motivated the study of thermodynamically inspired approaches to…

Preparation of Gibbs distributions is an important task for quantum computation. It is a necessary first step in some types of quantum simulations and further is essential for quantum algorithms such as quantum Boltzmann training. Despite…

量子物理 · 物理学 2020-02-04 Anirban N. Chowdhury , Guang Hao Low , Nathan Wiebe

The matrix product state (MPS) ansatz offers a promising approach for finding the ground state of molecular Hamiltonians and solving quantum chemistry problems. Building on this concept, the proposed technique of quantum circuit MPS (QCMPS)…

量子物理 · 物理学 2024-10-02 Hao-En Li , Xiang Li , Jia-Cheng Huang , Guang-Ze Zhang , Zhu-Ping Shen , Chen Zhao , Jun Li , Han-Shi Hu
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