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We present a formalism for coupling a density functional theory-based quantum simulation to a classical simulation for the treatment of simple metallic systems. The formalism is applicable to multiscale simulations in which the part of the…

Materials Science · Physics 2009-11-10 Nicholas Choly , Gang Lu , Weinan E , Efthimios Kaxiras

Large Language Models (LLMs) enable a new form of digital experimentation where treatments combine human and model-generated content in increasingly sophisticated ways. The main methodological challenge in this setting is representing these…

Methodology · Statistics 2025-10-27 Lei Shi , David Arbour , Raghavendra Addanki , Ritwik Sinha , Avi Feller

This article proposes a formalism which unifies Hamiltonian simulation techniques from different fields. This formalism leads to a competitive method to construct the Hamiltonian simulation with a comprehensible, simple-to-implement circuit…

Quantum Physics · Physics 2025-01-22 Robin Ollive , Stephane Louise

The Laplace transform is an algebraic method that is widely used for analyzing physical systems by either solving the differential equations modeling their dynamics or by evaluating their transfer function. The dynamics of the given system…

Logic in Computer Science · Computer Science 2018-06-11 Adnan Rashid , Osman Hasan

We study a new method - called Schrodingerisation introduced in [Jin, Liu, Yu, arXiv: 2212.13969] - for solving general linear partial differential equations with quantum simulation. This method converts linear partial differential…

Quantum Physics · Physics 2025-04-22 Shi Jin , Nana Liu , Yue Yu

We carry out a comparative study among five-dimensional formulations of chirally symmetric fermions about the algorithmic performance, chiral symmetry violation and topological tunneling to find a computationally inexpensive formulation…

High Energy Physics - Lattice · Physics 2013-11-28 The JLQCD Collaboration , T. Kaneko , S. Aoki , G. Cossu , H. Fukaya , S. Hashimoto , J. Noaki

Quantum scientific computing is to solve engineering and science problems such as simulation and optimization on quantum computers. Solving ordinary and partial differential equations (PDEs) is essential in simulations. However, existing…

Numerical Analysis · Mathematics 2026-04-28 Eunsik Choi , Jungin E. Kim , Xueling Lu , Yan Wang

Recently, constant-depth quantum circuits are proved more powerful than their classical counterparts at solving certain problems, e.g., the two-dimensional (2D) hidden linear function (HLF) problem regarding a symmetric binary matrix. To…

Quantum Physics · Physics 2021-03-02 Shihao Zhang , Jiacheng Bao , Yifan Sun , Lvzhou Li , Houjun Sun , Xiangdong Zhang

The accurate computational determination of chemical, materials, biological, and atmospheric properties has critical impact on a wide range of health and environmental problems, but is deeply limited by the computational scaling of…

Chemical Physics · Physics 2021-06-09 Debadrita Saha , Srinivasan S. Iyengar , Philip Richerme , Jeremy M. Smith , Amr Sabry

We present a quantum algorithm to achieve higher-order transformations of Hamiltonian dynamics. Namely, the algorithm takes as input a finite number of queries to a black-box seed Hamiltonian dynamics to simulate a desired Hamiltonian. Our…

Quantum Physics · Physics 2024-06-13 Tatsuki Odake , Hlér Kristjánsson , Akihito Soeda , Mio Murao

Few of the known quantum algorithms can be reliably executed on a quantum computer. Therefore, as an extension, we propose a Parallel Quantum Hough transform (PQHT) algorithm that we execute on a quantum computer. We give its implementation…

Image and Video Processing · Electrical Eng. & Systems 2023-11-21 Frank Klefenz , Nico Wittrock , Frank Feldhoff

Simulating quantum dynamics on classical computers is challenging for large systems due to the significant memory requirements. Simulation on quantum computers is a promising alternative, but fully optimizing quantum circuits to minimize…

This paper presents a Carleman-Fourier linearization method for nonlinear dynamical systems with periodic vector fields involving multiple fundamental frequencies. By employing Fourier basis functions, the nonlinear dynamical system is…

Dynamical Systems · Mathematics 2024-11-19 Panpan Chen , Nader Motee , Qiyu Sun

Solving the electronic Schrodinger equation for strongly correlated ground states is a long-standing challenge. We present quantum algorithms for the variational optimization of wavefunctions correlated by products of unitary operators,…

Quantum Physics · Physics 2024-08-06 Mario Motta , Kevin J. Sung , James Shee

We propose new estimates for the frontier of a set of points. They are defined as kernel estimates covering all the points and whose associated support is of smallest surface. The estimates are written as linear combinatio- ns of kernel…

Methodology · Statistics 2011-03-31 Guillaume Bouchard , Stéphane Girard , Anatoli Iouditski , Alexander Nazin

In this research, a novel adaptive filtering algorithm is proposed for complex domain signal processing. The proposed algorithm is based on Wirtinger calculus and is called as q-Complex Least Mean Square (q-CLMS) algorithm. The proposed…

Information Theory · Computer Science 2021-10-12 Alishba Sadiq , Imran Naseem , Shujaat Khan , Muhammad Moinuddin , Roberto Togneri , Mohammed Bennamoun

Purely data driven approaches for machine learning present difficulties when data is scarce relative to the complexity of the model or when the model is forced to extrapolate. On the other hand, purely mechanistic approaches need to…

Machine Learning · Statistics 2020-03-16 Mauricio A. Álvarez , David Luengo , Neil D. Lawrence

Unknown unitary inversion is a fundamental primitive in quantum computing and physics. Although recent work has demonstrated that quantum algorithms can invert arbitrary unknown unitaries without accessing their classical descriptions,…

Quantum Physics · Physics 2025-06-26 Yin Mo , Tengxiang Lin , Xin Wang

Progress in the behavioral analysis of software product lines at the family level benefits from further development of the underlying semantical theory. Here, we propose a behavioral equivalence for feature transition systems (FTS)…

Logic in Computer Science · Computer Science 2015-04-15 Tessa Belder , Maurice H. ter Beek , Erik P. de Vink

Fast Fourier transform algorithms are an arsenal of effective tools for solving various problems of analysis and high-speed processing of signals of various natures. Almost all of these algorithms are designed to process sequences of…

Data Structures and Algorithms · Computer Science 2025-04-11 Aleksandr Cariow