Related papers: A wavelet-based Projector Augmented-Wave (PAW) met…
We present an ab-initio density-functional-theory approach for calculating electron-phonon interactions within the projector augmented-wave method. The required electron-phonon matrix elements are defined as the second derivative of the…
Accurate large-scale Kohn-Sham density functional theory (DFT) calculations are essential for modeling complex material systems, including interfaces, defects, nanoclusters, and twisted two-dimensional heterostructures. Achieving chemical…
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…
CP-PAW is a combined electronic structure and ab-initio molecular dynamics code to perform mixed quantum and classical simulations of atomistic condensed phase systems, such as solids, liquids, and molecular systems. As the name suggests,…
We evaluate the zero-point renormalization (ZPR) due to electron-phonon interactions of 28 solids using the projector-augmented-wave (PAW) method. The calculations cover diamond, many zincblende semiconductors, rock-salt and wurtzite…
We provide accurate projected augmented wave (PAW) datasets for rare-earth (RE) elements with some suggested Hubbard U values allowing efficient plane-wave calculations. Solid state tests of generated datasets were performed on rare-earth…
In order to increase the accuracy of the linearized augmented plane wave method (LAPW) we present a new approach where the plane wave basis function is augmented by two different atomic radial components constructed at two different…
The $GW$ approach of many-body perturbation theory (MBPT) has become a common tool for calculating the electronic structure of materials. However, with increasing number of published results, discrepancies between the values obtained by…
We present an implementation of the linear density response function within the projector-augmented wave (PAW) method with applications to the linear optical and dielectric properties of both solids, surfaces, and interfaces. The response…
Wavelet (Besov) priors are a promising way of reconstructing indirectly measured fields in a regularized manner. We demonstrate how wavelets can be used as a localized basis for reconstructing permeability fields with sharp interfaces from…
Achieving the very special condition of perfect absorption (PA) in a complex scattering enclosure promises to enable a wealth of applications in secure communication, precision sensing, wireless power transfer, analog signal processing and…
Channel Attention reigns supreme as an effective technique in the field of computer vision. However, the proposed channel attention by SENet suffers from information loss in feature learning caused by the use of Global Average Pooling (GAP)…
PAWS is a tool to analyse the behaviour of weighted automata and conditional transition systems. At its core PAWS is based on a generic implementation of algorithms for checking language equivalence in weighted automata and bisimulation in…
In this work, we study wavelet projection estimators for density estimation, focusing on their construction from $\mathcal{S}$-regular, compactly supported wavelet bases. A key aspect of such estimators is the choice of the resolution…
This paper investigates the influence of the basis set on the GW self-energy correction in the full-potential linearized augmented-plane-wave (LAPW) approach and similar linearized all-electron methods. A systematic improvement is achieved…
In recent years, physics-informed neural networks (PINNs) have gained significant attention for solving differential equations, although they suffer from two fundamental limitations, namely, spectral bias inherent in neural networks and…
In this paper we propose a wavelet-based methodology for estimation and variable selection in partially linear models. The inference is conducted in the wavelet domain, which provides a sparse and localized decomposition appropriate for…
Analyzing the ocean acoustic environment is a tricky task. Background noise and variable channel transmission environment make it complicated to implement accurate ship-radiated noise recognition. Existing recognition systems are weak in…
Numerical simulation of ultrasonic wave propagation provides an efficient tool for crack identification in structures, while it requires a high resolution and expensive time calculation cost in both time integration and spatial…
We present a novel generative modeling framework,Wavelet-Fourier-Diffusion, which adapts the diffusion paradigm to hybrid frequency representations in order to synthesize high-quality, high-fidelity images with improved spatial…