Related papers: A Discrete Fourier Transform on Lattices with Quan…
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…
Classical density functional theory (DFT) of fluids is a valuable tool to analyze inhomogeneous fluids. However, few numerical solution algorithms for three-dimensional systems exist. Here we present an efficient numerical scheme for fluids…
This paper introduces a design method for densergraph-frequency graph Fourier frames (DGFFs) to enhance graph signal processing and analysis. The graph Fourier transform (GFT) enables us to analyze graph signals in the graph spectral domain…
We introduce a method for the estimation of uncertainties in density-functional-theory (DFT) calculations for atomistic systems. The method is based on the construction of an uncertainty-aware functional distribution (UAFD) in a space…
We study the problem of constructing a graph Fourier transform (GFT) for directed graphs (digraphs), which decomposes graph signals into different modes of variation with respect to the underlying network. Accordingly, to capture low,…
An integrated photonic circuit architecture to perform a modified-convolution operation based on the Discrete Fractional Fourier Transform (DFrFT) is introduced. This is accomplished by utilizing two nonuniformly-coupled waveguide lattices…
In this work, we present two parallel algorithms for the large-scale discrete Fourier transform (DFT) on Tensor Processing Unit (TPU) clusters. The two parallel algorithms are associated with two formulations of DFT: one is based on the…
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…
The Dissipative Spectral Form Factor (DSFF), recently introduced in [arXiv:2103.05001] for the Ginibre ensemble, is a key tool to study universal properties of dissipative quantum systems. In this work we compute the DSFF for a large class…
The nonlinear Fourier transform (NLFT) extends the classical Fourier transform by replacing addition with matrix multiplication. While the NLFT on $\mathrm{SU}(1,1)$ has been widely studied, its $\mathrm{SU}(2)$ variant has only recently…
The Fast Fourier Transform (FFT) is a numerical operation that transforms a function into a form comprised of its constituent frequencies and is an integral part of scientific computation and data analysis. The objective of our work is to…
Classical dynamical density functional theory (DDFT) is one of the cornerstones of modern statistical mechanics. It is an extension of the highly successful method of classical density functional theory (DFT) to nonequilibrium systems.…
We give some new results related to the directional short-time Fourier transform (DSTFT) and extend them on the spaces $\mathcal K_{1}(\mathbb R^{n})$ and $\mathcal K_{1}({\mathbb R})\widehat{\otimes}\mathcal U(\mathbb C^n)$ and their…
The nonlinear Fourier transform has the potential to overcome limits on performance and achievable data rates which arise in modern optical fiber communication systems when nonlinear interference is treated as noise. The periodic nonlinear…
Quantum computers open up new avenues for modelling the physical properties of materials and molecules. Density Functional Theory (DFT) is the gold standard classical algorithm for predicting these properties, but relies on approximations…
The achievable data rates of current fiber-optic wavelength-division-multiplexing (WDM) systems are limited by nonlinear interactions between different subchannels. Recently, it was thus proposed to replace the conventional Fourier…
Discrete Fourier Transform (DFT) is widely used in signal processing to analyze the frequencies in a discrete signal. However, DFT fails to recover the exact Fourier spectrum, when the signal contains frequencies that do not correspond to…
We established a new method called Discrete Weierstrass Fourier Transform, a faster and more generalized Discrete Fourier Transform, to approximate discrete data. The theory of this method as well as some experiments are analyzed in this…
Density Functional Theory (DFT) is one of the most widely used methods for "ab initio" calculations of the structure of atoms, molecules, crystals, surfaces, and their interactions. Unfortunately, the customary introduction to DFT is often…
Using the existence of infinite numbers $k$ in the non-Archimedean ring of Robinson-Colombeau, we define the hyperfinite Fourier transform (HFT) by considering integration extended to $[-k,k]^{n}$ instead of $(-\infty,\infty)^{n}$. In order…