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Schr\"odinger's equation serves as a fundamental component in characterizing quantum systems, wherein both quantum state tomography and Hamiltonian learning are instrumental in comprehending and interpreting quantum systems. While numerous…

量子物理 · 物理学 2024-01-25 Zheng An , Jiahui Wu , Muchun Yang , D. L. Zhou , Bei Zeng

As the size of quantum devices continues to grow, the development of scalable methods to characterise and diagnose noise is becoming an increasingly important problem. Recent methods have shown how to efficiently estimate Hamiltonians in…

量子物理 · 物理学 2019-12-18 Tim J. Evans , Robin Harper , Steven T. Flammia

Quantum computing has recently exhibited great potentials in predicting chemical properties for various applications in drug discovery, material design, and catalyst optimization. Progress has been made in simulating small molecules, such…

The quest for improved sampling methods to solve statistical mechanics problems of physical and chemical interest proceeds with renewed efforts since the invention of the Metropolis algorithm, in 1953. In particular, the understanding of…

量子物理 · 物理学 2021-08-27 Guglielmo Mazzola

Variational quantum algorithms are considered one of the most promising methods for obtaining near-term quantum advantages; however, most of these algorithms are only expressed in the conventional quantum circuit scheme. The roadblock to…

量子物理 · 物理学 2024-07-30 Zheng Qin , Xiufan Li , Yang Zhou , Shikun Zhang , Rui Li , Chunxiao Du , Zhisong Xiao

Measurement in quantum simulations provides a means for extracting meaningful information from a complex quantum state, and for quantum computing reducing the complexity of measurement will be vital for near-term applications. For most…

量子物理 · 物理学 2021-05-11 Scott E. Smart , David A. Mazziotti

Predicting properties of large-scale quantum systems is crucial for the development of quantum science and technology. Shadow estimation is an efficient method for this task based on randomized measurements, where many-qubit random Clifford…

量子物理 · 物理学 2024-04-24 Qingyue Zhang , Qing Liu , You Zhou

Large-scale quantum devices provide insights beyond the reach of classical simulations. However, for a reliable and verifiable quantum simulation, the building blocks of the quantum device require exquisite benchmarking. This benchmarking…

量子物理 · 物理学 2022-02-16 Agnes Valenti , Guliuxin Jin , Julian Léonard , Sebastian D. Huber , Eliska Greplova

Calculating the energy spectrum of a quantum system is an important task, for example to analyse reaction rates in drug discovery and catalysis. There has been significant progress in developing algorithms to calculate the ground state…

量子物理 · 物理学 2019-06-12 Suguru Endo , Tyson Jones , Sam McArdle , Xiao Yuan , Simon Benjamin

In quantum mechanics, measuring the expectation value of a general observable has an inherent statistical uncertainty that is quantified by variance or mean squared error of measurement outcome. While the uncertainty can be reduced by…

量子物理 · 物理学 2025-05-08 Kaito Wada , Naoki Yamamoto , Nobuyuki Yoshioka

Modeling low energy eigenstates of fermionic systems can provide insight into chemical reactions and material properties and is one of the most anticipated applications of quantum computing. We present three techniques for reducing the cost…

Variational algorithms are a promising paradigm for utilizing near-term quantum devices for modeling electronic states of molecular systems. However, previous bounds on the measurement time required have suggested that the application of…

Quantum machine learning (QML) is a discipline that seeks to transfer the advantages of quantum computing to data-driven tasks. However, many studies rely on toy datasets or heavy feature reduction, raising concerns about their scalability.…

量子物理 · 物理学 2025-04-16 Federico Tiblias , Anna Schroeder , Yue Zhang , Mariami Gachechiladze , Iryna Gurevych

Quantum chemistry provides key applications for near-term quantum computing, but these are greatly complicated by the presence of noise. In this work we present an efficient ansatz for the computation of two-electron atoms and molecules…

量子物理 · 物理学 2020-04-23 Scott E. Smart , David A. Mazziotti

Quantum chemistry calculations are important applications of quantum annealing. For practical applications in quantum chemistry, it is essential to estimate a ground state energy of the Hamiltonian with chemical accuracy. However, there are…

量子物理 · 物理学 2021-02-11 Takashi Imoto , Yuya Seki , Yuichiro Matsuzaki , Shiro Kawabata

The computational cost of quantum algorithms for physics and chemistry is closely linked to the spectrum of the Hamiltonian, a property that manifests in the necessary rescaling of its eigenvalues. The typical approach of using the 1-norm…

A candidate application for quantum computers is to simulate the low-temperature properties of quantum systems. For this task, there is a well-studied quantum algorithm that performs quantum phase estimation on an initial trial state that…

Efficiently learning expectation values of a quantum state using classical shadow tomography has become a fundamental task in quantum information theory. In a classical shadows protocol, one measures a state in a chosen basis W after it has…

量子物理 · 物理学 2025-06-04 Maxwell West , Antonio Anna Mele , Martin Larocca , M. Cerezo

We present a quantum algorithm for simulating rovibrational Hamiltonians on fault-tolerant quantum computers. The method integrates exact curvilinear kinetic energy operators and general-form potential energy surfaces expressed in a hybrid…

量子物理 · 物理学 2026-04-07 Michał Szczepanik , Ákos Nagy , Emil Żak

The rodeo algorithm is an efficient algorithm for eigenstate preparation and eigenvalue estimation for any observable on a quantum computer. This makes it a promising tool for studying the spectrum and structure of atomic nuclei as well as…

量子物理 · 物理学 2024-07-24 Zhengrong Qian , Jacob Watkins , Gabriel Given , Joey Bonitati , Kenneth Choi , Dean Lee