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We present a program to simulate the dynamics of a wave packet interacting with a time-dependent potential. The time-dependent Schr\"odinger equation is solved on a one-, two-, or three-dimensional spatial grid using the split operator…

Computational Physics · Physics 2013-11-21 C. M. Dion , A. Hashemloo , G. Rahali

Large-scale parallel numerical simulations are essential for a wide range of engineering problems that involve complex, coupled physical processes interacting across a broad range of spatial and temporal scales. The data structures involved…

Mathematical Software · Computer Science 2018-10-11 Fande Kong , Roy H. Stogner , Derek R. Gaston , John W. Peterson , Cody J. Permann , Andrew E. Slaughter , Richard C. Martineau

We present a new parallel algorithm for probabilistic graphical model optimization. The algorithm relies on data-parallel primitives (DPPs), which provide portable performance over hardware architecture. We evaluate results on CPUs and GPUs…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-09-14 Brenton Lessley , Talita Perciano , Colleen Heinemann , David Camp , Hank Childs , E. Wes Bethel

With large-scale Integral Field Spectroscopy (IFS) surveys of thousands of galaxies currently under-way or planned, the astronomical community is in need of methods, techniques and tools that will allow the analysis of huge amounts of data.…

Instrumentation and Methods for Astrophysics · Physics 2015-12-22 Georgios Bekiaris , Karl Glazebrook , Christopher J. Fluke , Roberto Abraham

Computing numerical solutions to fractional differential equations can be computationally intensive due to the effect of non-local derivatives in which all previous time points contribute to the current iteration. In general, numerical…

Numerical Analysis · Mathematics 2016-05-04 Christopher L. MacDonald , Nirupama Bhattacharya , Brian P. Sprouse , Gabriel A. Silva

This paper is devoted to the efficient numerical solution of the Helmholtz equation in a two- or three-dimensional rectangular domain with an absorbing boundary condition (ABC). The Helmholtz problem is discretized by standard bilinear and…

Numerical Analysis · Computer Science 2019-10-24 Jari Toivanen , Monika Wolfmayr

In this paper, we propose Fourier pseudospectral methods to solve the variable-order space fractional wave equation and develop an accelerated matrix-free approach for its effective implementation. In constant-order cases, our methods can…

Numerical Analysis · Mathematics 2024-02-06 Yanzhi Zhang , Xiaofei Zhao , Shiping Zhou

Operator splitting methods allow to split the operator describing a complex dynamical system into a sequence of simpler subsystems and treat each part independently. In the modeling of dynamical problems, systems of (possibly coupled)…

Dynamical Systems · Mathematics 2023-09-01 Andreas Bartel , Malak Diab , Andreas Frommer , Michael Günther

The obstacle problem is a class of free boundary problems which finds applications in many disciplines such as porous media, financial mathematics and optimal control. In this paper, we propose two operator-splitting methods to solve the…

Numerical Analysis · Mathematics 2023-02-08 Hao Liu , Dong Wang

We consider the quantum complexity of estimating matrix elements of unitary irreducible representations of groups. For several finite groups including the symmetric group, quantum Fourier transforms yield efficient solutions to this…

Quantum Physics · Physics 2009-04-21 Stephen P. Jordan

We propose a Fourier-based approach for optimization of several clustering algorithms. Mathematically, clusters data can be described by a density function represented by the Dirac mixture distribution. The density function can be smoothed…

Machine Learning · Computer Science 2019-09-24 Soheil Mehrabkhani

We present a hybrid a-priori/a-posteriori goal oriented error estimator for a combination of dynamic iteration-based solution of ordinary differential equations discretized by finite elements. Our novel error estimator combines estimates…

Numerical Analysis · Mathematics 2026-02-13 Erik Weyl , Andreas Bartel , Manuel Schaller

Dissipation and irreversibility are central to most physical processes, yet they lead to non-unitary dynamics that are challenging to realise on quantum processors. High-order operator splitting is an attractive approach for simulating…

Quantum Physics · Physics 2026-02-17 Peter Brearley , Philipp Pfeffer

The efficiency of boundary element methods depends crucially on the time required for setting up the stiffness matrix. The far-field part of the matrix can be approximated by compression schemes like the fast multipole method or…

Mathematical Software · Computer Science 2017-10-19 Steffen Börm , Sven Christophersen

We establish improved uniform error bounds on time-splitting methods for the long-time dynamics of the Dirac equation with small electromagnetic potentials characterized by a dimensionless parameter $\varepsilon\in (0, 1]$ representing the…

Numerical Analysis · Mathematics 2021-12-08 Weizhu Bao , Yue Feng , Jia Yin

Fractional derivatives can be used to model time delays in a diffusion process. When the order of the fractional derivative is distributed over the unit interval, it is useful for modeling a mixture of delay sources. In some special cases…

Analysis of PDEs · Mathematics 2016-11-29 Jebessa B. Mijena , Erkan Nane

In dynamic quantum circuits, classical information from mid-circuit measurements is fed forward during circuit execution. This emerging capability of quantum computers confers numerous advantages that can enable more efficient and powerful…

Quantum Physics · Physics 2024-03-28 Elisa Bäumer , Vinay Tripathi , Alireza Seif , Daniel Lidar , Derek S. Wang

The $\mathcal{F}$-statistic is a detection statistic used widely in searches for continuous gravitational waves with terrestrial, long-baseline interferometers. A new implementation of the $\mathcal{F}$-statistic is presented which…

General Relativity and Quantum Cosmology · Physics 2022-06-14 Liam Dunn , Patrick Clearwater , Andrew Melatos , Karl Wette

The IEEE 754-2008 standard recommends the correct rounding of some elementary functions. This requires to solve the Table Maker's Dilemma which implies a huge amount of CPU computation time. We consider in this paper accelerating such…

Mathematical Software · Computer Science 2013-06-06 Pierre Fortin , Mourad Gouicem , Stef Graillat

Efficient and accurate time-domain simulation of electromagnetic fields in complex photonic devices is critical for designing broadband and ultrafast optical components, yet it is often limited by the high computational cost of conventional…

Optics · Physics 2026-02-05 Zaifan Wu , Yue You , Xian Zhou , Fan Zhang
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