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$\tt DsixTools$ is a Mathematica package for the handling of the Standard Model Effective Field Theory (SMEFT) and the Low-energy Effective Field Theory (LEFT) with operators up to dimension six, both at the algebraic and numerical level.…
For computational acoustics, schemes need to have low-dispersion and low-dissipation properties in order to capture the amplitude and phase of the wave correctly. To improve the spectral properties of the scheme, the authors have previously…
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…
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 open-source program free to download for academic use with full user-friendly graphical interface for performing flexible and robust background subtraction and dipole fitting on magnetization data. For magnetic samples with…
The FORTRAN code POLRAD 2.0 for radiative correction calculation in inclusive and semi-inclusive deep inelastic scattering of polarized leptons by polarized nucleons and nuclei is described. Its theoretical basis, structure and algorithms…
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…
3D Gaussian Splatting (3DGS) has emerged as a powerful approach for novel view synthesis. However, the number of Gaussian primitives often grows substantially during training as finer scene details are reconstructed, leading to increased…
SpectraPlot is a web-based application for simulating spectra of atomic and molecular gases. At the time this manuscript was written, SpectraPlot consisted of four primary tools for calculating: 1) atomic and molecular absorption spectra,…
We introduce CADE 2.5 (Comfy Adaptive Detail Enhancer), a sampler-level guidance stack for SD/SDXL latent diffusion models. The central module, ZeResFDG, unifies (i) frequency-decoupled guidance that reweights low- and high-frequency…
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…
Discrete cosine transform (DCT) and other Fourier-related transforms have broad applications in scientific computing. However, off-the-shelf high-performance multi-dimensional DCT (MD DCT) libraries are not readily available in parallel…
Electromagnetic scattering and absorption by material particles is a fundamental physical problem with a broad range of applications, going from laboratory experiments, biology and material sciences, all the way up to environmental studies…
As an extension of the 2D fractional Fourier transform (FRFT) and a special case of the 2D linear canonical transform (LCT), the gyrator transform was introduced to produce rotations in twisted space/spatial-frequency planes. It is a useful…
In this thesis we investigate high throughput computational methods for processing large quantities of data collected from synchrotrons and their application to spectral analysis of powder diffraction data. We also present the main product…
Diffuse scattering is a rich source of information about disorder in crystalline materials, which can be modelled using atomistic techniques such as Monte Carlo and molecular dynamics simulations. Modern X-ray and neutron scattering…
Shape2SAS is a web application that allows researchers and students to build intuition and understanding of small-angle scattering. It is available at https://somo.chem.utk.edu/shape2sas. The user defines a model of arbitrary shape by…
IR microspectroscopy of single biological cells is challenged by strong light scattering, which produces baseline effects and peak distortions in the IR spectra and hinders the direct extraction of chemical information. Current methods for…
Prior works on near-field beam training have mostly assumed dedicated polar-domain codebook and on-grid range estimation, which, however, may suffer long training overhead and degraded estimation accuracy. To address these issues, we…
In this work we present spectral algorithms for the numerical scattering for the defocusing Davey-Stewartson (DS) II equation with initial data having compact support on a disk, i.e., for the solution of d-bar problems. Our algorithms use…