Related papers: KPROJ: A Program for Unfolding Electronic and Phon…
Subwavelength imaging of elastic/acoustic waves using phononic crystals (PCs) is limited to a narrow frequency range via the two existing mechanisms that utilize either the intense Bragg scattering in the first phonon band or negative…
An efficient mixed deterministic/sparse-stochastic plane-wave approach is developed for bandstructure calculations of large supercell periodic generalized-Kohn-Sham density functional theory, for any hybrid-exchange density functional. The…
Although Kolmogorov-Arnold-based interpretable networks (KANs) possess strong theoretical expressiveness, they suffer from severe parameter explosion and limited ability to capture high-frequency features in high-dimensional tasks. To…
Phononic crystals enable precise manipulation of elastic wave propagation through engineered bandgaps; however, designing defect states within these bandgaps for frequency-selective applications remains a significant challenge. Existing…
Purpose: The goal of this work is to extend the capabilities of RAKI, a k-space interpolating neural network, to reconstruct high-quality images from in-plane accelerated simultaneous multislice imaging acquisitions. This method is referred…
We report about the effect of an applied external mechanical load on a periodic structure exhibiting band gaps induced by inertial amplification mechanism. If compared to the cases of Bragg scattering and ordinary local resonant…
The detection of ultrafast optical and radio-frequency (RF) signals is crucial for applications ranging from high-speed communications to advanced sensing. However, conventional detectors are fundamentally constrained by their intrinsic…
Phonons play a critical role in determining various material properties, but conventional methods for phonon calculations are computationally intensive, limiting their broad applicability. In this study, we present an approach to accelerate…
This study presents band-ensemble Spectral Proper Orthogonal Decomposition (bSPOD). The approach is inspired by frequency smoothing, a method used to reduce estimator variance in power spectral density estimates, and is here extended to…
Processes involving ultrafast laser driven electron-phonon dynamics play a fundamental role in the response of quantum systems in a growing number of situations of interest, as evidenced by phenomena such as strongly driven phase…
In this work we develop a high-resolution mapped-grid finite volume method code to model wave propagation in two dimensions in systems of multiple orthotropic poroelastic media and/or fluids, with curved interfaces between different media.…
The refraction properties of phononic crystals are revealed by examining the anti-plane shear waves in doubly periodic elastic composites with unit cells containing rectangular and/or elliptical inclusions. The band-structure, group…
We describe procedures to obtain the electronic structure of disordered systems using either tight binding like models or quite directly from ab inito density functional band structure calculations. The band structure is calculated using…
This study investigates a vibroacoustic phononic metamaterial system composed of repeated monolayered membrane-air cavity unit-cells to assess its efficacy in controlling sound waves. Assuming low-frequency axisymmetric modes, the coupled…
We present two developments for the numerical integration of a function over the Brillouin zone. First, we introduce a nonuniform grid, which we refer to as the Farey grid, that generalizes regular grids. Second, we introduce…
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 FEM application for the accurate design of composite backing of ultrasonic transducers is presented. The idea is to obtain the dependence between the volume ratio of the tungsten powder in an epoxy matrix used as a backing and the final…
The calculation of accurate photoelectron spectra (PES) for strong-field laser-atom experiments is a demanding computational task, even in single-active-electron approximation. The QPROP code, published in 2006, has been extended in 2016 in…
We develop a first-principles scheme based on the continued fraction approach an d ultrasoft pseudopotentials to calculate K-edge X-ray absorption spectra in solids. The method allows for calculations of K-edge X-ray absorption spectra in…
Kernel adaptive filtering (KAF) integrates traditional linear algorithms with kernel methods to generate nonlinear solutions in the input space. The standard approach relies on the representer theorem and the kernel trick to perform…