Related papers: Ultrafast Calculation of Diffuse Scattering from A…
Generative AI models, such as score-based diffusion models, have recently advanced the field of computational materials science by enabling the generation of new materials with desired properties. In addition, these models could also be…
The Fast Fourier Transform (FFT) over a finite field $\mathbb{F}_q$ computes evaluations of a given polynomial of degree less than $n$ at a specifically chosen set of $n$ distinct evaluation points in $\mathbb{F}_q$. If $q$ or $q-1$ is a…
Computing the Sparse Fast Fourier Transform(sFFT) of a K-sparse signal of size N has emerged as a critical topic for a long time. There are mainly two stages in the sFFT: frequency bucketization and spectrum reconstruction. Frequency…
The marriage of density functional theory (DFT) and deep learning methods has the potential to revolutionize modern computational materials science. Here we develop a deep neural network approach to represent DFT Hamiltonian (DeepH) of…
Recent developments in machine learning and signal processing have resulted in many new techniques that are able to effectively capture the intrinsic yet complex properties of hyperspectral imagery. Tasks ranging from anomaly detection to…
Ultrafast scattering using X-rays or electrons is an emerging method to obtain structure dynamics at the atomic length and time scales. However, directly resolving in real-space atomic motions is inherently limited by the finite detector…
Development generating diffraction-related valuable expressions and formulas capable of initiating new era for diffraction and for scientific domains that use it provided. The main expression, among these, gives diffracted intensity as…
Ptychography is a popular imaging technique that combines diffractive imaging with scanning microscopy. The technique consists of a coherent beam that is scanned across an object in a series of overlapping positions, leading to reliable and…
Density-functional theory (DFT) has revolutionized computer simulations in chemistry and material science. A faithful implementation of the theory requires self-consistent calculations. However, this effort involves repeatedly diagonalizing…
We demonstrate a strategy for simulating wide-range X-ray scattering patterns, which spans the small- and wide scattering angles as well as the scattering angles typically used for Pair Distribution Function (PDF) analysis. Such simulated…
This paper details the purpose, difficulties, theory, implementation, and results of developing a Fast Fourier Transform (FFT) using the prime factor algorithm on an embedded system. Many applications analyze the frequency content of…
Transport and acceleration of charged particles in turbulent media is a topic of great interest in space physics and interstellar astrophysics. These processes are dominated by the scattering of particles off magnetic irregularities. The…
We introduce two efficient algorithms for computing the partial Fourier transforms in one and two dimensions. Our study is motivated by the wave extrapolation procedure in reflection seismology. In both algorithms, the main idea is to…
Nonuniform Fourier data are routinely collected in applications such as magnetic resonance imaging, synthetic aperture radar, and synthetic imaging in radio astronomy. To acquire a fast reconstruction that does not require an online inverse…
Neutron scattering is a powerful probe of strongly correlated systems. It can directly detect common phenomena such as magnetic order, and can be used to determine the coupling between magnetic moments through measurements of the spin-wave…
The fast Fourier transform, FFT, is a useful and prevalent algorithm in signal processing. It characterizes the spectral components of a signal, or is used in combination with other operations to perform more complex computations such as…
Discrete transforms such as the discrete Fourier transform (DFT) or the discrete Hartley transform (DHT) furnish an indispensable tool in signal processing. The successful application of transform techniques relies on the existence of the…
The iso-frequency contours of a photonic crystal are important for predicting and understanding exotic optical phenomena that are not apparent from high-symmetry band structure visualizations. Here, we demonstrate a method to directly…
An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…
Many applications require recovering the geometry information of multiple elastic particles based on the scattering information. In this paper, we consider the inverse time-harmonic elastic scattering of multiple rigid particles in three…