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

The Loewner framework-(LF) in combination with Volterra series-(VS) offers a non-intrusive approximation method that is capable of identifying bilinear models from time-domain measurements. This method uses harmonic inputs which establish a…

We introduce a Wannier-type formulation of periodic local vibrational mode theory that yields real-space-localized vibrational modes associated with individual internal coordinates in crystalline solids. These modes are constructed as…

Bourgain in his seminal paper [2] about the analysis of maximal functions associated to convex bodies, has estimated in a sharp way the $L^2$-operator norm of the maximal function associated to a kernel $K\in L^1,$ with differentiable…

We propose a new family of mapped WENO schemes by using several adaptive control functions and a smoothing approximation of the signum function. The proposed schemes introduce the adaptivity and admit an extensive permitted range of the…

We present a method enabling us to write in relativistic manner the wave function of some particular two particle bound state models in quantum mechanics. The idea is to expand the bound state wave function in terms of free states and to…

SPARC is an accurate, efficient, and scalable real-space electronic structure code for performing ab initio Kohn-Sham density functional theory calculations. Version 2.0.0 of the software provides increased efficiency, and includes…

Nano-sized unmanned aerial vehicles (UAVs) are well-fit for indoor applications and for close proximity to humans. To enable autonomy, the nano-UAV must be able to self-localize in its operating environment. This is a…

We present a new full-potential method to solve the one-body problem, for example, in the local density approximation. The method uses the augmented plane waves (APWs) and the generalized muffin-tin orbitals (MTOs) together as basis sets to…

For the approximation and simulation of twofold iterated stochastic integrals and the corresponding L\'{e}vy areas w.r.t. a multi-dimensional Wiener process, we review four algorithms based on a Fourier series approach. Especially, the very…

We introduce a scheme for constructing partly occupied, maximally localized Wannier functions (WFs) for both molecular and periodic systems. Compared to the traditional occupied WFs the partly occupied WFs posses improved symmetry and…

The DFT/vdW-QHO-WF method, recently developed to include the van der Waals (vdW) interactions in approximated Density Functional Theory (DFT) by combining the Quantum Harmonic Oscillator model with the Maximally Localized Wannier Function…

We document our Fortran 77 code for multicanonical simulations of 4D U(1) lattice gauge theory in the neighborhood of its phase transition. This includes programs and routines for canonical simulations using biased Metropolis heatbath…

We present EUWA310, a seismic velocity model obtained by full seismic waveform inversion (FWI) model of the upper mantle beneath Europe and Western Asia. Inferred via 310 quasi-Newton updates from more than 260$\,$000 three-component…

We have formulated higher-order integration by parts formulae on the path space restricted between two curves, with respect to pinned/ordinary Wiener measures. The higher-order integration by parts formulae introduce nontrivial boundary…

A systematic method is presented for constructing effective Hamiltonians for general phonon-related structural transitions. The key feature is the application of group theoretical methods to identify the subspace in which the effective…

Gutzwiller projection allows a construction of an assortment of variational wave functions for strongly correlated systems. For quantum spin S=1/2 models, Gutzwiller-projected wave functions have resonating-valence-bond structure and may…

We present an efficient implementation of Wiener filtering of real-space linear field and optimal quadratic estimator of its power spectrum Band-powers. We first recast the field reconstruction into an optimization problem, which we solve…

We propose a WAveform Vector Exploitation (WAVE) deep neural network for full-waveform Time-Of-Flight (TOF) physics detectors, and evaluate its performance against traditional reconstruction techniques via Monte Carlo study of a small…

We present a new method for recovering the cosmological density, velocity, and potential fields from all-sky redshift catalogues. The method is based on an expansion of the fields in orthogonal radial (Bessel) and angular (spherical…

The space of Wilson coefficients of EFT that can be UV completed into consistent theories was recently shown to be described analytically by a positive geometry, termed the EFThedron. However, this geometry, as well as complementary…