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A WWW interface for the simulation of spectral energy distributions of optically thin dust configurations with an embedded radiative source is presented. The density distribution, radiative source, and dust parameters can be selected either…
Approximate methods have been considered as a means to the evaluation of discrete transforms. In this work, we propose and analyze a class of integer transforms for the discrete Fourier, Hartley, and cosine transforms (DFT, DHT, and DCT),…
Upcoming LCLS-II/II-HE operation at repetition rates approaching 1MHz demands on-detector data reduction to manage the resulting data volumes. We present a 2D discrete wavelet transform (DWT) pre-processing algorithm that segments…
Recently a novel approach to find approximate exchange-correlation functionals in density-functional theory (DFT) was presented (U. Mordovina et. al., JCTC 15, 5209 (2019)), which relies on approximations to the interacting wave function…
We establish a rigorous density functional theory (DFT) framework for core-level X-ray absorption spectroscopy (XAS) by formulating a constrained search for core-excited states based on the Gunnarsson-Lundqvist theorem. Within this…
A robust and general solver for the radial Schr\"odinger, Dirac, and Kohn--Sham equations is presented. The formulation admits general potentials and meshes: uniform, exponential, or other defined by nodal distribution and derivative…
We present the DTFE public software, a code for reconstructing fields from a discrete set of samples/measurements using the maximum of information contained in the point distribution. The code is written in C++ using the CGAL library and is…
Dynamic metasurface antennas (DMAs) are emerging as a promising technology to enable energy-efficient, large array-based multi-antenna systems. This paper presents a simple channel estimation scheme for the downlink of a multiple-input…
We develop a new, efficient, and accurate method to simulate frequency-domain borehole electromagnetic (EM) measurements acquired in the presence of three-dimensional (3D) variations of the anisotropic subsurface conductivity. The method is…
We present an imaging technique particularly suited to the detection of a target embedded in a strongly scattering medium. Classical imaging techniques based on the Born approximation fail in this kind of configuration because of multiply…
Material susceptibilities govern interactions between electromagnetic waves and matter and are of a crucial importance for basic understanding of natural phenomena and for tailoring practical applications. Here we present a new…
An implementation of full self-consistency over the electronic density in the DFT+DMFT framework on the basis of a plane wave-projector augmented wave (PAW) DFT code is presented. It allows for an accurate calculation of the total energy in…
In this paper, we propose a new spectral decomposition method to simulate waves propagating in complicated waveguides. For the numerical solutions of waveguide scattering problems, an important task is to approximate the…
The Fourier Domain Acceleration Search (FDAS) is an effective technique for detecting faint binary pulsars in large radio astronomy datasets. This paper quantifies the sensitivity impact of reducing numerical precision in the GPU…
MOLSCAT is a general-purpose program for quantum-mechanical calculations on nonreactive atom-atom, atom-molecule and molecule-molecule collisions. It constructs the coupled-channel equations of atomic and molecular scattering theory, and…
The dynamical susceptibility of strongly correlated electronic systems can be calculated within the framework of the dynamical mean-field theory (DMFT). The required measurement of the four-point vertex of the auxiliary impurity model is…
Semantic segmentation of building facade is significant in various applications, such as urban building reconstruction and damage assessment. As there is a lack of 3D point clouds datasets related to the fine-grained building facade, we…
We propose Dual Cross-Attention (DCA), a simple yet effective attention module that is able to enhance skip-connections in U-Net-based architectures for medical image segmentation. DCA addresses the semantic gap between encoder and decoder…
In recent years, the growing demand to process large graphs and sparse datasets has led to increased research efforts to develop hardware- and software-based architectural solutions to accelerate them. While some of these approaches achieve…
Obtaining accurate high-resolution representations of model outputs is essential to describe the system dynamics. In general, however, only spatially- and temporally-coarse observations of the system states are available. These observations…