Related papers: User Guide for the Discrete Dipole Approximation C…
Optical metasurfaces are planar substrates with custom-designed, nanoscale features that selectively modulate incident light with respect to direction, wavelength, and polarization. When coupled with photodetectors and appropriate…
A new package, DISPred, is described. The package can be used to calculate ep deep inelastic scattering cross sections at Born level in Electroweak theory and at both leading and next-to-leading order in QCD.
Structure factors obtained from diffraction experiments are one of the most important quantities for characterizing the electronic and structural properties of materials. Methods for calculating this quantity from plane-wave density…
Generative diffusion models have achieved remarkable success in producing high-quality images. However, these models typically operate in continuous intensity spaces, diffusing independently across pixels and color channels. As a result,…
Consider the scattering of a time-harmonic electromagnetic plane wave by an open cavity which is embedded in a perfectly electrically conducting infinite ground plane. This paper concerns the numerical solutions of the open cavity…
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…
Resonant inelastic x-ray scattering (RIXS) has become a very powerful experimental technique to probe a broad range of intrinsic elementary excitations, for example, from low energy phonons and (bi-)magnons to high energy $d$-$d$,…
We present an accurate, efficient and massively parallel finite-element code, DFT-FE, for large-scale ab-initio calculations (reaching $\sim 100,000$ electrons) using Kohn-Sham density functional theory (DFT). DFT-FE is based on a local…
Small-angle X-ray and neutron scattering experiments are used in many fields of the life sciences and condensed matter research to obtain answers to questions about the shape and size of nano-sized structures, typically in the range of 1 to…
We present a fully charge self-consistent implementation of dynamical mean field theory (DMFT) combined with density functional theory (DFT) for electronic structure calculations of materials with strong electronic correlations. The…
We present a computer code for calculating near- and far-field electromagnetic properties of multilayered spheres. STRATIFY is one-of-a-kind open-source package which allows for the efficient calculation of electromagnetic near-field,…
The Catani--Seymour dipole subtraction is a general and powerful procedure to calculate the QCD next-to-leading order corrections for collider observables. We clearly define a practical algorithm to use the dipole subtraction. The algorithm…
We present a new open-source program, DCore, that implements dynamical mean-field theory (DMFT). DCore features a user-friendly interface based on text and HDF5 files. It allows DMFT calculations of tight-binding models to be performed on…
Introducing electric fields into density functional theory (DFT) calculations is essential for understanding electrochemical processes, interfacial phenomena, and the behavior of materials under applied bias. However, applying user-defined…
We investigate the wave-optical light scattering properties of deformed thin circular films of constant thickness using the discrete-dipole approximation. Effects on the intensity distribution of the scattered light due to different…
FLAC is a program to calculate the small-angle neutron scattering intensity of highly packed polydisperse systems of neutral or charged hard spheres within the Percus-Yevick and the Mean Spherical Approximation closures, respectively. The…
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…
We formulate a finite-difference time-domain (FDTD) approach to simulate electromagnetic wave scattering from scatterers embedded in layered dielectric or dispersive media. At the heart of our approach is a derivation of an equivalent…
The scattering of a weakly bound (halo) projectile nucleus by a heavy target nucleus is investigated. A new approach, called the Uncorrelated Scattering Approximation, is proposed. The main approximation involved is to neglect the…
Realistic modeling of scattering from curved metallic bodies - such as vehicles and roadside structures - is essential for cellular and vehicular channel modeling as well as radar applications. A practical approach is to approximate curved…