Related papers: Fast Ewald Summation using Prolate Spheroidal Wave…
In this paper we study a general theoretical framework which allows to approximate the real space Ewald sum by means of effective force shifted screened potentials, together with a self term. Using this strategy it is possible to generalize…
The joint detection and classification of RF signals has been a critical problem in the field of wideband RF spectrum sensing. Recent advancements in deep learning models have revolutionized this field, remarkably through the application of…
Slater basis functions have desirable properties that can improve electronic structure simulations, but improved numerical integration methods are needed. This work builds upon the SlaterGPU library for evaluation of Hamiltonian matrix…
In this paper, several rigorous numerical simulations were conducted to examine the relevance of mean-field micromechanical models compared to the Fast Fourier Transform full-field computation by considering spherical or ellipsoidal…
In this work we develop the Spectral Ewald Accelerated Stokesian Dynamics (SEASD), a novel computational method for dynamic simulations of polydisperse colloidal suspensions with full hydrodynamic interactions. SEASD is based on the…
In measuring the power spectrum of the distribution of large numbers of dark matter particles in simulations, or galaxies in observations, one has to use Fast Fourier Transforms (FFT) for calculational efficiency. However, because of the…
Molecular Dynamics (MD) simulations play a central role in physics-driven drug discovery. MD applications often use the Particle Mesh Ewald (PME) algorithm to accelerate electrostatic force computations, but efficient parallelization has…
Recent research in deep learning (DL) has investigated the use of the Fast Fourier Transform (FFT) to accelerate the computations involved in Convolutional Neural Networks (CNNs) by replacing spatial convolution with element-wise…
High-contrast imaging (HCI) observations of exoplanets can be limited by the island effect (IE). On the current generation of telescopes, the IE becomes a severe problem when the ground wind speed is below a few meters per second. This is…
We present a new $\texttt{python}$ package SARABANDE for measuring 3 & 4 Point Correlation Functions (3/4 PCFs) in $\mathcal{O}(N_{\rm g} \log N_{\rm g})$ time using Fast Fourier Transforms (FFTs), with $N_{\rm g}$ the number of grid points…
The graph fractional Fourier transform (GFRFT) for unitary graph Fourier transform (GFT) matrices can be interpreted through the scalar function $e^{j\alpha\theta}$ on the unit circle. Under the principal branch, its Fourier-series…
Calculations of the Fourier transform of a constant quantity over an area or volume defined by polygons (connected vertices) are often useful in modeling wave scattering, or in fourier-space filtering of real-space vector-based volumes and…
Searches for signals at low signal-to-noise ratios frequently involve the Fast Fourier Transform (FFT). For high-throughput searches, we here consider FFT on the homogeneous mesh of Processing Elements (PEs) of a wafer-scale engine (WSE).…
In this paper, we study the error behavior of the nonequispaced fast Fourier transform (NFFT). This approximate algorithm is mainly based on the convenient choice of a compactly supported window function. So far, various window functions…
Image computation is a fundamental tool for performance assessment of astronomical instrumentation, usually implemented by Fourier transform techniques. We review the numerical implementation, evaluating a direct implementation of the…
A common problem in cosmology is to integrate the product of two or more spherical Bessel functions (sBFs) with different configuration-space arguments against the power spectrum or its square, weighted by powers of wavenumber. Naively…
In his monograph Chebyshev and Fourier Spectral Methods, John Boyd claimed that, regarding Fourier spectral methods for solving differential equations, ``[t]he virtues of the Fast Fourier Transform will continue to improve as the relentless…
In this work, we first give some mathematical preliminaries concerning the generalized prolate spheroidal wave function (GPSWFs). These set of special functions have been introduced in [16] and [7] and they are defined as the infinite and…
The performance of multivariate kernel density estimation (KDE) depends strongly on the choice of bandwidth matrix. The high computational cost required for its estimation provides a big motivation to develop fast and accurate methods. One…
Real-time time-dependent density functional theory (RT-TDDFT) is known to be hindered by the very small time step (attosecond or smaller) needed in the numerical simulation due to the fast oscillation of electron wavefunctions, which…