Related papers: An efficient procedure for the development of opti…
Projection-based embedding provides a simple, robust, and accurate approach for describing a small part of a chemical system at the level of a correlated wavefunction method while the remainder of the system is described at the level of…
The realistic description of correlated electron systems has taken an important step forward a few years ago as the combination of density functional methods and the dynamical mean-field theory was conceived. This framework allows access to…
The search for new materials, based on computational screening, relies on methods that accurately predict, in an automatic manner, total energy, atomic-scale geometries, and other fundamental characteristics of materials. Many…
Ultrasound plane wave imaging is a cutting-edge technique that enables high frame-rate imaging. However, one challenge associated with high frame-rate ultrasound imaging is the high noise associated with them, hindering their wider…
Results are presented of a fully ab-initio calculation of impact ionization rates in GaAs within the density functional theory framework, using a screened-exchange formalism and the highly precise all-electron full-potential linearized…
The plasma-liquid interaction is an important issue in plasma technology. The simulation of discharge in spherical bubbles in the water that produced plasma-activated water (PAW) is investigated using finite element methods (FEM) for a…
Gravitational-wave analyses depend heavily on waveforms that model the evolution of compact binary coalescences as seen by observing detectors. In many cases these waveforms are given by waveform approximants, models that approximate the…
Plate acoustic waves (PAW) propagating along X-axis in the Z-cut wafer of a single crystal of lithium niobate are considered theoretically and experimentally. For eight lowest PAW modes, the dispersion curves for wavenumber k(f) are…
Following the approach of Yu, Singh, and Krakauer [Phys. Rev. B 43 (1991) 6411] we extended the linearized augmented plane wave code WIEN of Blaha, Schwarz, and coworkers by the evaluation of forces. In this paper we describe the approach,…
Material properties such as permeability fields in heterogeneous porous media are often represented as discontinuous, piecewise constant data tied to a given spatial discretization. Such representations are inherently mesh-dependent,…
Passive acoustic mapping (PAM) is a promising tool for monitoring acoustic cavitation activities in the applications of ultrasound therapy. Data-adaptive beamformers for PAM have better image quality compared to the time exposure acoustics…
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…
The propagation of a surface acoustic wave (SAW) on GaAs/AlGaAs heterostructures is studied in the case where the two-dimensional electron gas (2DEG) is subject to a strong magnetic field and a smooth random potential with correlation…
Electric field gradients and chemical shielding tensors of the stable monoclinic crystal phase of ethanol are computed. The projector-augmented wave (PAW) and gauge-including projector-augmented wave (GIPAW) models in the periodic…
We present a scheme for the calculation of linear optical properties by the all-electron full-potential linearized augmented planewave (LAPW) method. A summary of the theoretical background for the derivation of the dielectric tensor within…
A general procedure for the optimization of atomic density-fitting basis functions is designed with the balance between accuracy and numerical stability in mind. Given one-electron wavefunctions and energies, weights are assigned to the…
Underwater visuals undergo various complex degradations, inevitably influencing the efficiency of underwater vision tasks. Recently, diffusion models were employed to underwater image enhancement (UIE) tasks, and gained SOTA performance.…
The emergence of large foundation models has propelled significant advances in various domains. The Segment Anything Model (SAM), a leading model for image segmentation, exemplifies these advances, outperforming traditional methods.…
Non-invasively focusing light into strongly scattering media, such as biological tissue, is highly desirable but challenging. Recently, wavefront shaping technologies guided by ultrasonic encoding or photoacoustic sensing have been…
We propose a unique scheme to construct fully optimized atomic basis sets for density-functional calculations. The shapes of the radial functions are optimized by minimizing the {\it spillage} of the wave functions between the atomic…