Related papers: User Guide for the Discrete Dipole Approximation C…
Infinitesimal electric and magnetic dipoles are widely used as an equivalent radiating source model. In this paper, an improved method for dipole extraction from magnitude-only electromagnetic-field data based on genetic algorithm and…
In a preceding paper we introduced a formalism to study the scattering of low intensity fields from a system of multi-level emitters embedded in a $3$D dielectric medium. Here we show how this photon-scattering relation can be used to…
The EURETILE project required the selection and coding of a set of dedicated benchmarks. The project is about the software and hardware architecture of future many-tile distributed fault-tolerant systems. We focus on dynamic workloads…
A grand challenge in fundamental physics and practical applications is overcoming wave diffusion to deposit energy into a target region deep inside a diffusive system. While it is known that coherently controlling the incident wavefront…
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 unmanned aerial systems, especially in complex environments, accurately detecting tiny objects is crucial. Resizing images is a common strategy to improve detection accuracy, particularly for small objects. However, simply enlarging…
Snapshot hyperspectral imaging systems acquire spectral data cubes through compressed sensing. Recently, diffractive snapshot spectral imaging (DSSI) methods have attracted significant attention. While various optical designs and…
In this work, we present a computationally efficient methodology that utilizes a local real-space formulation of the projector augmented wave (PAW) method discretized with a finite-element (FE) basis to enable accurate and large-scale…
We present a fast algorithm for computing the diffracted field from arbitrary binary (sharp-edged) planar apertures and occulters in the scalar Fresnel approximation, for up to moderately high Fresnel numbers ($\lesssim 10^3$). It uses a…
We present in full detail a newly developed formalism enabling density functional perturbation theory (DFPT) calculations from a DFT+$U$ ground state. The implementation includes ultrasoft pseudopotentials and is valid for both insulating…
In this article we report the release of a new program for batch processing and visualization of powder diffraction data. The program, which is free-of-charge for non-commercial use and can be obtained with its detailed documentation from…
We present a new efficient way to perform hybrid density functional theory (DFT) based electronic structure calculation. The new method uses an interpolative separable density fitting (ISDF) procedure to construct a set of numerical…
Accurate beam alignment is a critical challenge in XL-MIMO systems, especially in the near-field regime, where conventional far-field assumptions no longer hold. Although 2D grid-based codebooks in the polar domain are widely accepted for…
We present the validation of ADBSat, a novel implementation of the panel method including a fast pseudo-shading algorithm, that can quickly and accurately determine the forces and torques on satellites in free-molecular flow. Our main…
Single phonon excitations, with energies in the $1-100 \, \text{meV}$ range, are a powerful probe of light dark matter (DM). Utilizing effective field theory, we derive a framework to compute DM absorption rates into single phonons starting…
We introduce an efficient finite-element approach for large-scale real-space pseudopotential density functional theory (DFT) calculations incorporating noncollinear magnetism and spin-orbit coupling. The approach, implemented within the…
A recent study by Panchagnula et al. [J. Chem. Phys. 161, 054308 (2024)] illustrated the non-concordance of a variety of electronic structure methods at describing the symmetric double-well potential expected along the anisotropic direction…
Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and non-linear response properties of materials from first principles. A notable advantage of DFPT over alternative…
As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for isolated…
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…