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Scalar diffraction calculations such as the angular spectrum method (ASM) and Fresnel diffraction, are widely used in the research fields of optics, X-rays, electron beams, and ultrasonics. It is possible to accelerate the calculation using…

Given a time series vector, how can we efficiently compute a specified part of Fourier coefficients? Fast Fourier transform (FFT) is a widely used algorithm that computes the discrete Fourier transform in many machine learning applications.…

Machine Learning · Computer Science 2020-08-31 Yong-chan Park , Jun-Gi Jang , U Kang

Fourier transform-based methods enable accurate, dispersion-free simulations of time-domain scattering problems by evaluating solutions to the Helmholtz equation at a discrete set of frequencies sufficient to approximate the inverse Fourier…

Numerical Analysis · Mathematics 2025-10-29 Oscar P. Bruno , Manuel A. Santana

In the present paper we describe a simple black box algorithm for efficiently and accurately solving scattering problems related to the scattering of time-harmonic waves from radially-symmetric potentials in two dimensions. The method uses…

Numerical Analysis · Mathematics 2020-08-03 Jeremy Hoskins , Vladimir Rokhlin

We have developed an algorithm for transferring radiation in three-dimensional space. The algorithm computes radiation source and sink terms using the Fast Fourier Transform (FFT) method, based on a formulation in which the integral of any…

Astrophysics · Physics 2009-11-07 Renyue Cen

The Fraunhofer diffraction of quantum particles from materials with sharp electron-density edges or symmetric bond structures is ubiquitous. In contrast, diffraction from atoms with characteristic asymptotically-diffused electron…

Single-shot coherent diffractive imaging (CDI) using intense XUV and soft X-ray pulses holds the promise to deliver information on the three dimensional shape as well as the optical properties of nano-scale objects in a single diffraction…

Optics · Physics 2025-11-25 Paul Tuemmler , Julia Apportin , Thomas Fennel , Christian Peltz

Fast Fourier Transform (FFT) is an efficient algorithm to compute the Discrete Fourier Transform (DFT) and its inverse. In this paper, we pay special attention to the description of complex-data FFT. We analyze two common descriptions of…

Numerical Analysis · Computer Science 2011-10-28 Zhengjun Cao , Xiao Fan

Atomic scale simulations are a key element of modern science in that they allow to understand, and even predict, complex physical or chemical phenomena on the basis of the fundamental laws of nature. Among the different existing atomic…

Materials Science · Physics 2021-07-20 Alexandre Boulle , Alain Chartier , Aurélien Debelle , Xin Jin , Jean-Paul Crocombette

We demonstrate the use of the Fast Fourier Transform Beam Propagation Method (FFT BPM) to simulate dynamic diffraction effects, including scattering from deformed crystals with arbitrary shapes in Bragg, Laue, and asymmetric geometries. The…

Optics · Physics 2026-01-13 Jacek Krzywinski , Aliaksei Halavanau

We report on a new algorithm for detection of crystallographic information in 3D, as retained in Atom Probe Tomography (APT), with improved robustness and signal detection performance. The algorithm is underpinned by 1D distribution…

Materials Science · Physics 2019-05-22 Daniel Haley , Paul A. J. Bagot , Michael P. Moody

Optical turbulence modelling and simulation are crucial for developing astronomical ground-based instruments, laser communication, laser metrology, or any application where light propagates through a turbulent medium. In the context of…

Instrumentation and Methods for Astrophysics · Physics 2024-04-05 A. Berdja , M. Hadjara , M. Carbillet , R. L. Bernardi , R. G. Petrov

The classical method of determining the atomic structure of complex molecules by analyzing diffraction patterns is currently undergoing drastic developments. Modern techniques for producing extremely bright and coherent X-ray lasers allow a…

Biomolecules · Quantitative Biology 2015-10-12 Tomas Ekeberg , Stefan Engblom , Jing Liu

In this paper, we study the mathematical imaging problem of diffraction tomography (DT), which is an inverse scattering technique used to find material properties of an object by illuminating it with probing waves and recording the…

Numerical Analysis · Mathematics 2023-05-16 Florian Faucher , Clemens Kirisits , Michael Quellmalz , Otmar Scherzer , Eric Setterqvist

We suggest measuring the one-particle density matrix of a trapped ultracold atomic cloud by scattering fast atoms in a pure momentum state off the cloud. The lowest-order probability for the process, resulting in a pair of outcoming fast…

Soft Condensed Matter · Physics 2007-05-23 A. B. Kuklov , B. V. Svistunov

The usual fluid equations describing the large-scale evolution of mass density in the universe can be written as local in the density, velocity divergence, and velocity potential fields. As a result, the perturbative expansion in small…

Cosmology and Nongalactic Astrophysics · Physics 2016-06-01 Marcel Schmittfull , Zvonimir Vlah , Patrick McDonald

The state-of-the-art automotive radars employ multidimensional discrete Fourier transforms (DFT) in order to estimate various target parameters. The DFT is implemented using the fast Fourier transform (FFT), at sample and computational…

Signal Processing · Electrical Eng. & Systems 2018-01-16 Shaogang Wang , Vishal M. Patel , Athina Petropulu

A version of scattering theory that was developed many years ago to treat nuclear scattering processes, has provided a powerful tool to study universality in scattering processes involving open quantum systems with underlying classically…

Chaotic Dynamics · Physics 2022-10-12 L. E. Reichl , G. Akguc

The aim of this paper is to describe a Matlab toolbox, called $\mu$-diff, for modeling and numerically solving two-dimensional complex multiple scattering by a large collection of circular cylinders. The approximation methods in $\mu$-diff…

Mathematical Software · Computer Science 2015-05-20 Bertrand Thierry , Xavier Antoine , Chokri Chniti , Hasan Alzubaidi

Recently, sophisticated deep learning-based approaches have been developed for generating efficient initial guesses to accelerate the convergence of density functional theory (DFT) calculations. While the actual initial guesses are often…

Chemical Physics · Physics 2026-03-24 Zhe Liu , Yuyan Ni , Zhichen Pu , Qiming Sun , Siyuan Liu , Wen Yan
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