相关论文: Wien2wannier: From linearized augmented plane wave…

We build on a long-standing tradition in astronomical adaptive optics (AO) of specifying performance metrics and error budgets using linear systems modeling in the spatial-frequency domain. Our goal is to provide a comprehensive tool for…

We propose a computational scheme for the ab initio calculation of Wannier functions (WFs) for correlated electronic materials. The full-orbital Hamiltonian H is projected into the WF subspace defined by the physically most relevant…

In chirped pulse experiments, magnitude Fourier transform is used to generate frequency domain spectra. The application of window function as a tool for lineshape correction and signal-to-noise ratio (SnR) enhancement is rarely discussed in…

We present an efficient approach to precisely simulate tight binding models with optical lattices, based on programmable digital-micromirror-device (DMD) techniques. Our approach consists of a subroutine of Wegner-flow enabled precise…

We introduce an automated workflow for generating non-empirical Wannier-localized optimally-tuned screened range-separated hybrid (WOT-SRSH) functionals. WOT-SRSH functionals have been shown to yield highly accurate fundamental band gaps,…

Fluid antenna system (FAS) is emerging as a key technology for enhancing spatial flexibility and sensing accuracy in future wireless systems. This paper investigates an unmanned aerial vehicle (UAV)-enabled FAS for multi-target wireless…

Maximally localized Wannier functions use the gauge freedom of Bloch wavefunctions to define the optimally smooth subspace with matrix elements that depend smoothly on crystal momentum. The associated Wannier functions are real-space…

We present a semi-automated method for obtaining an initial estimate of Wannier functions, designed to facilitate the construction of Wannier functions for describing low-energy effective models of solids, particularly those relevant to…

Wiener spaces are in many ways the decisive setting for fundamental results on Gaussian measures: large deviations (Schilder), quasi-invariance (Cameron--Martin), differential calculus (Malliavin), support description (Stroock--Varadhan),…

We introduce turboMagnon, an implementation of the Liouville-Lanczos approach to linearized time-dependent density-functional theory, designed to simulate spin-wave spectra in solid-state materials. The code is based on the noncollinear…

The augmented Lagrangian (AL) method provides a flexible and efficient framework for solving extended-space full-waveform inversion (FWI), a constrained nonlinear optimization problem whereby we seek model parameters and wavefields that…

[This work has been submitted to the IEEE for possible publication. Copyright may be transferred without notice, after which this version may no longer be accessible.] In a wireless acoustic sensor network (WASN), devices (i.e., nodes) can…

We examine the influence of the relativistic effects within the linear augmented plane wave method (LAPW) for solids and propose a few alternative ways to accurately take them into account: (1) we introduce new radial dependencies for LAPW…

The recommender systems have long been investigated in the literature. Recently, users' implicit feedback like `click' or `browse' are considered to be able to enhance the recommendation performance. Therefore, a number of attempts have…

RESPACK is a first-principles calculation software for evaluating the interaction parameters of materials and is able to calculate maximally localized Wannier functions, response functions based on the random phase approximation and related…

The newly developed "strongly constrained and appropriately normed" (SCAN) meta-generalized-gradient approximation (meta-GGA) can generally improve over the non-empirical Perdew-Burke-Ernzerhof (PBE) GGA not only for strong chemical…

We present a computational scheme to study spin excitations in magnetic materials from first principles. The central quantity is the transverse spin susceptibility, from which the complete excitation spectrum, including single-particle…

The Swin transformer has recently attracted attention in medical image analysis due to its computational efficiency and long-range modeling capability. Owing to these properties, the Swin Transformer is suitable for establishing more…

We present an alternative, Bayesian method for large-scale reconstruction from observed peculiar velocity data. The method stresses a rigorous treatment of the random errors and it allows extrapolation into poorly sampled regions in real…

Time-frequency representations (TFRs) of signals, such as the windowed Fourier transform (WFT), wavelet transform (WT) and their synchrosqueezed variants (SWFT, SWT), provide powerful analysis tools. However, there are many important issues…