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Estimation of the expectation value of observables is a key subroutine in quantum computing and is also the bottleneck of the performance of many near-term quantum algorithms. Many works have been proposed to reduce the number of…

Quantum Physics · Physics 2023-05-05 Zi-Jian Zhang , Kouhei Nakaji , Matthew Choi , Alán Aspuru-Guzik

Unwanted interaction between a quantum system and its fluctuating environment leads to decoherence and is the primary obstacle to establishing a scalable quantum information processing architecture. Strategies such as environmental and…

Simulating quantum dynamics is one of the most important applications of quantum computers. Traditional approaches for quantum simulation involve preparing the full evolved state of the system and then measuring some physical quantity.…

Quantum Physics · Physics 2025-02-24 Rolando D. Somma , Robbie King , Robin Kothari , Thomas O'Brien , Ryan Babbush

Scalable quantum technologies will present challenges for characterizing and tuning quantum devices. This is a time-consuming activity, and as the size of quantum systems increases, this task will become intractable without the aid of…

The measurement precision of modern quantum simulators is intrinsically constrained by the limited set of measurements that can be efficiently implemented on hardware. This fundamental limitation is particularly severe for quantum…

Quantum Physics · Physics 2020-07-01 Giacomo Torlai , Guglielmo Mazzola , Giuseppe Carleo , Antonio Mezzacapo

In quantum/classical (QM/CM) partitioning methods for multi-scale modeling, one is often forced to introduce uncontrolled phenomenological effects of the environment (CM) in the quantum (QM) domain as ab initio quantum calculations are…

Chemical Physics · Physics 2007-05-23 Aditi Mallik , Carlos E. Taylor , Keith Runge , James W. Dufty

Quantum tomography is the main method used to assess the quality of quantum information processing devices, but its complexity presents a major obstacle for the characterization of even moderately large systems. The number of experimental…

Quantum Physics · Physics 2015-03-19 Marcus P. da Silva , Olivier Landon-Cardinal , David Poulin

Estimating ground state energies of many-body Hamiltonians is a central task in many areas of quantum physics. In this work, we give quantum algorithms which, given any $k$-body Hamiltonian $H$, compute an estimate for the ground state…

We propose quantum-selected configuration interaction (QSCI), a class of hybrid quantum-classical algorithms for calculating the ground- and excited-state energies of many-electron Hamiltonians on noisy quantum devices. Suppose that an…

Quantum Physics · Physics 2023-02-23 Keita Kanno , Masaya Kohda , Ryosuke Imai , Sho Koh , Kosuke Mitarai , Wataru Mizukami , Yuya O. Nakagawa

We present a benchmarking protocol for universal quantum computers, achieved through the simulation of random dynamical quantum maps. This protocol provides a holistic assessment of system-wide error rates, encapsulating both gate…

Quantum Physics · Physics 2024-04-30 Daniel Volya , Prabhat Mishra

Prediction of tautomers plays an essential role in computer-aided drug discovery. However, it remains a challenging task nowadays to accurately predict the canonical tautomeric form of a given drug-like molecule. Lack of extensive tautomer…

Quantum Physics · Physics 2022-10-07 Yu Shee , Tzu-Lan Yeh , Jen-Yueh Hsiao , Ann Yang , Yen-Chu Lin , Min-Hsiu Hsieh

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

Identifying Hamiltonian of a quantum system is of vital importance for quantum information processing. In this Letter, we realized and benchmarked a quantum Hamiltonian identification algorithm recently proposed [Phys. Rev. Lett.…

Quantum Physics · Physics 2014-10-16 Shi-yao Hou , Hang Li , Gui-Lu Long

In this paper, we address the problem how to represent a classical data distribution in a quantum system. The proposed method is to learn quantum Hamiltonian that is such that its ground state approximates the given classical distribution.…

Quantum Physics · Physics 2020-01-17 Hilbert J Kappen

The task of estimating the ground state of Hamiltonians is an important problem in physics with numerous applications ranging from solid-state physics to combinatorial optimization. We provide a hybrid quantum-classical algorithm for…

Quantum Physics · Physics 2022-02-28 Kishor Bharti , Tobias Haug

Achieving chemical accuracy with shallow quantum circuits is a significant challenge in quantum computational chemistry, particularly for near-term quantum devices. In this work, we present a Clifford-based Hamiltonian engineering…

Quantum Physics · Physics 2024-01-09 Jiace Sun , Lixue Cheng , Weitang Li

Accurate and precise control of large quantum systems is paramount to achieve practical advantages on quantum devices. Therefore, benchmarking the hardware errors in quantum computers has drawn significant attention lately. Existing…

Quantum Physics · Physics 2023-01-18 Bharath Hebbe Madhusudhana

Classical machine learning theory and theory of quantum computations are among of the most rapidly developing scientific areas in our days. In recent years, researchers investigated if quantum computing can help to improve classical machine…

Quantum Physics · Physics 2019-06-26 D. V. Fastovets , Yu. I. Bogdanov , B. I. Bantysh , V. F. Lukichev

We investigate the feasibility of early fault-tolerant quantum algorithms focusing on ground-state energy estimation problems. In particular, we examine the computation of the cumulative distribution function (CDF) of the spectral measure…

We investigate an efficient, generic method for evaluating the performance of quantum annealing devices that does not require the prior knowledge of the true ground state of the benchmark problem. This approach exploits symmetry properties…

Quantum Physics · Physics 2022-01-06 Dilina Perera , Bhavika Bhalgamiya , M. A. Novotny