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In the era of quantum computing, the emergence of quantum computers and subsequent advancements have led to the development of various quantum algorithms capable of solving linear equations and eigenvalues, surpassing the pace of classical…

Quantum Physics · Physics 2024-11-26 Hyunju Lee , Kyungtaek Jun

Various methods have been developed for the quantum computation of the ground and excited states of physical and chemical systems, but many of them require either large numbers of ancilla qubits or high-dimensional optimization. The quantum…

Quantum Physics · Physics 2019-12-16 Kübra Yeter-Aydeniz , Raphael C. Pooser , George Siopsis

We propose inexact subspace iteration for solving high-dimensional eigenvalue problems with low-rank structure. Inexactness stems from low-rank compression, enabling efficient representation of high-dimensional vectors in a low-rank tensor…

Numerical Analysis · Mathematics 2025-10-16 Alec Dektor , Peter DelMastro , Erika Ye , Roel Van Beeumen , Chao Yang

The computation of approximating e^tA B, where A is a large sparse matrix and B is a rectangular matrix, serves as a crucial element in numerous scientific and engineering calculations. A powerful way to consider this problem is to use…

Numerical Analysis · Mathematics 2023-08-29 H. Barkouki , A. H. Bentbib , K. Jbilou

Solving electronic structure problems is considered one of the most promising applications of quantum computing. However, due to limitations imposed by the coherence time of qubits in the Noisy Intermediate Scale Quantum (NISQ) era or the…

Quantum Physics · Physics 2025-03-20 Shuo Sun , Chandan Kumar , Kevin Shen , Elvira Shishenina , Christian B. Mendl

Quantum phase estimation is one of the most powerful quantum primitives. This work proposes a new approach for the problem of multiple eigenvalue estimation: Quantum Multiple Eigenvalue Gaussian filtered Search (QMEGS). QMEGS leverages the…

Quantum Physics · Physics 2024-10-02 Zhiyan Ding , Haoya Li , Lin Lin , HongKang Ni , Lexing Ying , Ruizhe Zhang

Accurate computation of multiple eigenvalues of quantum Hamiltonians is essential in quantum chemistry, materials science, and molecular spectroscopy. Estimating excited-state energies is challenging for classical algorithms due to…

Quantum Physics · Physics 2026-05-22 Grzegorz Rajchel-Mieldzioć , Szymon Pliś , Emil Zak

We have developed an application and implemented parallel algorithms in order to provide a computational framework suitable for massively parallel supercomputers to study the unitary dynamics of quantum systems. We use renowned parallel…

Computational Physics · Physics 2018-11-20 Marlon Brenes , Vipin Kerala Varma , Antonello Scardicchio , Ivan Girotto

Energy spectroscopy is a powerful tool with diverse applications across various disciplines. The advent of programmable digital quantum simulators opens new possibilities for conducting spectroscopy on various models using a single device.…

We examine and compare several iterative methods for solving large-scale eigenvalue problems arising from nuclear structure calculations. In particular, we discuss the possibility of using block Lanczos method, a Chebyshev filtering based…

Numerical Analysis · Mathematics 2023-05-26 Abdullah Alperen , Metin Aktulga , Pieter Maris , Chao Yang

Quantum computers hold immense potential in the field of chemistry, ushering new frontiers to solve complex many body problems that are beyond the reach of classical computers. However, noise in the current quantum hardware limits their…

Quantum Physics · Physics 2024-03-20 Chayan Patra , Sonaldeep Halder , Rahul Maitra

Quantum Process Tomography (QPT) methods aim at identifying, i.e. estimating, a quantum process. QPT is a major quantum information processing tool, since it especially allows one to experimentally characterize the actual behavior of…

Quantum Physics · Physics 2025-06-27 Yannick Deville , Alain Deville

This work introduces a novel algorithm to solve large-scale eigenvalue problems and seek a small set of eigenpairs. The method, called randomized Krylov-Schur (rKS), has a simple implementation and benefits from fast and efficient…

Numerical Analysis · Mathematics 2025-08-08 Jean-Guillaume de Damas , Laura Grigori

This paper is an algorithmic study of quantum phase estimation with multiple eigenvalues. We present robust multiple-phase estimation (RMPE) algorithms with Heisenberg-limited scaling. The proposed algorithms improve significantly from the…

Quantum Physics · Physics 2023-10-26 Haoya Li , Hongkang Ni , Lexing Ying

Computing many-body ground state energies and resolving electronic structure calculations are fundamental problems for fields such as quantum chemistry or condensed matter. Several quantum computing algorithms that address these problems…

Quantum Physics · Physics 2023-01-12 Karen J. Morenz Korol , Kenny Choo , Antonio Mezzacapo

Quantum computers show potential for achieving computational advantage over classical computers, with many candidate applications in combinatorial optimisation. We present an application level benchmarking framework for near-term quantum…

The determination of the ground and low-lying excited states is critical in many studies of quantum chemistry and condensed-matter physics. Recent theoretical work proposes a variational quantum eigensolver using ancillary qubits to…

Quantum Physics · Physics 2025-07-22 Huili Zhang , Yibin Guo , Guanglei Xu , Yulong Feng , Jingning Zhang , Hai-feng Yu , S. P. Zhao

Mixed-effects models are widely used to model data with hierarchical grouping structures and high-cardinality categorical predictor variables. However, for high-dimensional crossed random effects, current standard computations relying on…

Methodology · Statistics 2026-05-15 Pascal Kündig , Fabio Sigrist

Numerous quantum algorithms operate under the assumption that classical data has already been converted into quantum states, a process termed Quantum State Preparation (QSP). However, achieving precise QSP requires a circuit depth that…

Quantum Physics · Physics 2024-08-13 Yilun Zhao , Bingmeng Wang , Wenle Jiang , Xiwei Pan , Bing Li , Yinhe Han , Ying Wang

Thanks to its great potential in reducing both computational cost and memory requirements, combining sketching and Krylov subspace techniques has attracted a lot of attention in the recent literature on projection methods for linear…

Numerical Analysis · Mathematics 2024-06-12 Davide Palitta , Marcel Schweitzer , Valeria Simoncini