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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…

This dissertation is concerned with understanding and analyzing some of the effects of diffraction in the near field. The contributions of homogeneous and of evanescent waves to two-dimensional near-field diffraction patterns of scalar…

The diffraction patterns of crystalline materials with local order contain sharp Bragg reflections as well as highly structured diffuse scattering. The instrumental requirements, experimental parameters and data processing techniques for…

We present an accurate, first-principles study of the electronic structure and absorption spectrum of bulk copper within Density Functional Theory in the Local Density Approximation (DFT-LDA), including the study of intraband transitions.…

Accurate predictions for dark matter-electron scattering in solids require an all-electron treatment together with a faithful description of dielectric screening beyond simple approximations. In particular, local field effects, arising from…

The deployment of extremely large-scale antenna array (ELAA) in sixth-generation (6G) communication systems introduces unique challenges for efficient near-field channel estimation. To tackle these issues, this paper presents a…

The description of realistic strongly correlated systems has recently advanced through the combination of density functional theory in the local density approximation (LDA) and dynamical mean field theory (DMFT). This LDA+DMFT method is…

In this paper, we propose an efficient implementation of combining Dynamical Mean field theory (DMFT) with electronic structure calculation based on the local density approximation (LDA). The pseudo-potential-plane-wave method is used in…

Particle shape and aggregation have a strong influence on the spectral profiles of infrared phonon bands of solid dust grains. Calculating these effects is difficult due to the often extreme refractive index values in these bands. In this…

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,…

Discrete diffusion models have seen a surge of attention with applications on naturally discrete data such as language and graphs. Although discrete-time discrete diffusion has been established for a while, only recently Campbell et al.…

Extremely large-scale array (XL-array) has emerged as one promising technology to improve the spectral efficiency and spatial resolution of future sixth generation (6G) wireless systems.The upsurge in the antenna number antennas renders…

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…

Traditional radar and integrated sensing and communication (ISAC) systems often approximate targets as point sources, a simplification that fails to capture the essential scattering characteristics for many applications. This paper presents…

The stability and convergence analysis of high-order numerical approximations for the one- and two-dimensional nonlocal wave equations on unbounded spatial domains are considered. We first use the quadrature-based finite difference schemes…

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…

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…

The paper describes a new E-Delta-E detection module which includes a position-sensitive double-sided strip detector (DSSD) and a low-pressure pentane-filled Delta-E chamber for detection of Evaporation Residues (ER) in complete fusion…

Deep neural networks suffer from performance decay when there is domain shift between the labeled source domain and unlabeled target domain, which motivates the research on domain adaptation (DA). Conventional DA methods usually assume that…

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…