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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

Solving Hamiltonian matrix is a central task in quantum many-body physics and quantum chemistry. Here we propose a novel quantum algorithm named as a quantum Heaviside eigen solver to calculate both the eigen values and eigen states of the…

Quantum Physics · Physics 2021-11-17 Zheng-Zhi Sun , Gang Su

Quantum computing has attracted significant interest in the optimization community because it potentially can solve classes of optimization problems faster than conventional supercomputers. Several researchers proposed quantum computing…

Quantum Physics · Physics 2023-02-14 Mohammadhossein Mohammadisiahroudi , Ramin Fakhimi , Tamás Terlaky

The preparation of Hamiltonian eigenstates is essential for many applications in quantum computing; the efficiency with which this can be done is of key interest. A canonical approach exploits the quantum phase estimation (QPE) algorithm.…

Quantum Physics · Physics 2022-12-05 Richard Meister , Simon C. Benjamin

Quantum simulation of complex quantum systems and their properties often requires the ability to prepare initial states in an eigenstate of the Hamiltonian to be simulated. In addition, to compute the eigenvalues of a Hamiltonian is in…

Quantum Physics · Physics 2020-05-21 Jing-Ning Zhang , Iñigo Arrazola , Jorge Casanova , Lucas Lamata , Kihwan Kim , Enrique Solano

The application of quantum algorithms to classical problems is generally accompanied by significant bottlenecks when transferring data between quantum and classical states, often negating any intrinsic quantum advantage. Here we address…

Quantum Physics · Physics 2025-04-03 Omer Rathore , Alastair Basden , Nicholas Chancellor , Halim Kusumaatmaja

Developing efficient quantum computing algorithms is essential for tackling computationally challenging problems across various fields. This paper presents a novel quantum algorithm, XZ24, for efficiently computing the eigen-energy spectra…

Quantum Physics · Physics 2024-09-30 Qing-Xing Xie , Yan Zhao

Exploiting inherent symmetries is a common and effective approach to speed up the simulation of quantum systems. However, efficiently accounting for non-Abelian symmetries, such as the $SU(2)$ total-spin symmetry, remains a major challenge.…

Quantum Physics · Physics 2024-12-20 Anthony Gandon , Alberto Baiardi , Max Rossmannek , Werner Dobrautz , Ivano Tavernelli

In this paper, we explore using the Harrow-Hassidim-Lloyd (HHL) algorithm to address scientific and engineering problems through quantum computing, utilizing the NWQSim simulation package on a high-performance computing platform. Focusing…

Quantum Physics · Physics 2025-08-08 Muqing Zheng , Chenxu Liu , Samuel Stein , Xiangyu Li , Johannes Mülmenstädt , Yousu Chen , Ang Li

We propose a state-specific orbital optimization scheme for improving the accuracy of excited states of the electronic structure Hamiltonian for the use on near-term quantum computers, which can be combined with any overlap-based…

Quantum Physics · Physics 2025-10-16 Guorui Zhu , Joel Bierman , Jianfeng Lu , Yingzhou Li

The use of near-term quantum devices that lack quantum error correction, for addressing quantum chemistry and physics problems, requires hybrid quantum-classical algorithms and techniques. Here we present a process for obtaining the…

Quantum Physics · Physics 2023-08-14 Pejman Jouzdani , Stefan Bringuier

Quantum computing enables the efficient resolution of complex problems, often outperforming classical methods across various applications. In 2009, Harrow, Hassidim and Lloyd proposed an algorithm for solving linear systems of equations,…

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…

Quantum Physics · Physics 2019-12-18 Tim J. Evans , Robin Harper , Steven T. Flammia

Based on recently introduced efficient quantum state tomography schemes, we propose a scalable method for the tomography of unitary processes and the reconstruction of one-dimensional local Hamiltonians. As opposed to the exponential…

Quantum Physics · Physics 2015-04-30 M. Holzäpfel , T. Baumgratz , M. Cramer , M. B. Plenio

We present an algorithm for measurement of $k$-local operators in a quantum state, which scales logarithmically both in the system size and the output accuracy. The key ingredients of the algorithm are a digital representation of the…

Quantum Physics · Physics 2018-10-16 Apoorva Patel , Anjani Priyadarsini

Accurately predicting response properties of molecules such as the dynamic polarizability and hyperpolarizability using quantum mechanics has been a long-standing challenge with widespread applications in material and drug design. Classical…

Chemical Physics · Physics 2020-09-01 Xiaoxia Cai , Wei-Hai Fang , Heng Fan , Zhendong Li

Solving systems of linear equations is a fundamental problem, but it can be computationally intensive for classical algorithms in high dimensions. Existing quantum algorithms can achieve exponential speedups for the quantum linear system…

Quantum Physics · Physics 2025-11-27 Junhyung Lyle Kim , Nai-Hui Chia , Anastasios Kyrillidis

The calculation of excited state energies of electronic structure Hamiltonians has many important applications, such as the calculation of optical spectra and reaction rates. While low-depth quantum algorithms, such as the variational…

Quantum Physics · Physics 2019-07-03 Oscar Higgott , Daochen Wang , Stephen Brierley

In this paper, we explore accelerating Hamiltonian ground state energy calculation on NISQ devices. We suggest using search-based methods together with machine learning to accelerate quantum algorithms, exemplified in the Quantum…

Quantum Physics · Physics 2026-05-11 Avner Bensoussan , Elena Chachkarova , Karine Even-Mendoza , Sophie Fortz , Connor Lenihan

Quantum signal processing (QSP) is a powerful quantum algorithm to exactly implement matrix polynomials on quantum computers. Asymptotic analysis of quantum algorithms based on QSP has shown that asymptotically optimal results can in…

Quantum Physics · Physics 2021-07-13 Yulong Dong , Xiang Meng , K. Birgitta Whaley , Lin Lin