Related papers: User Guide for the Discrete Dipole Approximation C…
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 $d$-$d$,…
This paper describes a numerical formulation for calculating wave propagation with high precision in a three-dimensional system. Yee's discretization scheme is used to formulate a frequency domain method that is compatible with the…
The electromagnetic scattering from elongated, arbitrarily shaped, open-ended cavities have been studied extensively over the years. In this paper we introduce the fast encapsulating domain decomposition (EDD) scheme for the analysis of…
The discrete cosine transform (DCT) is a relevant tool in signal processing applications, mainly known for its good decorrelation properties. Current image and video coding standards -- such as JPEG and HEVC -- adopt the DCT as a…
The article proposes formulating and codifying a set of applied numerical methods, coined as Deep Learning Discrete Calculus (DLDC), that uses the knowledge from discrete numerical methods to interpret the deep learning algorithms through…
Diffusing Alpha-emitters Radiation Therapy (DaRT) is a new method for treating solid tumors using alpha particles. Unlike conventional radiotherapy, where the physical models for dose calculations are known and routinely used, for DaRT a…
In this work, we developed an automatic convergence procedure for k-points and plane wave cut-off in density functional (DFT) calculations and applied it to more than 30000 materials. The computational framework for automatic convergence…
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…
Recently, coherent digital subcarrier multiplexing (DSCM) technology has become an attractive solution for next-generation ultra-high-speed datacenter interconnects (DCIs). To meet the requirements of low-cost and low-power consumption in…
Most existing point cloud upsampling methods have roughly three steps: feature extraction, feature expansion and 3D coordinate prediction. However,they usually suffer from two critical issues: (1)fixed upsampling rate after one-time…
The diffraction spectrum of coherent waves scattered from fractal supports is calculated exactly. The fractals considered are of the class generated iteratively by successive dilations and translations, and include generalizations of the…
ADF95 is a tool to automatically calculate numerical first derivatives for any mathematical expression as a function of user defined independent variables. Accuracy of derivatives is achieved within machine precision. ADF95 may be applied…
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…
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…
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,…
The present work proposes an approach to obtain a basis-set correction based on density-functional theory (DFT) for the computation of molecular properties in wave-function theory (WFT). This approach allows one to accelerate the basis-set…
We developed a portable code for dissipative particle dynamics (DPD) simulations. This Fortran program named CAMUS has a couple of notable features. One is the omission of constructing the so-called neighboring particles list, providing a…
Computational tools for normal mode analysis, which are widely used in physics and materials science problems, are designed here in a single package called NMscatt (Normal Modes & scattering) that allows arbitrarily large systems to be…
Current pulsar timing array (PTA) analyses do not take full advantage of pulsar distance information, thereby missing out on improved angular resolution and on a potential factor-of-two gain in detection sensitivity for individual…
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…