Related papers: Robust mixing in self-consistent linearized augmen…
We present an implementation of the adaptively compressed exchange (ACE) operator in the LAPW formalism. ACE is a low-rank representation of the Fock exchange that avoids any loss of precision for the total energy. Our study shows that this…
Electron momentum density and Compton profiles in Lithium along $<100 >$, $<110>$, and $<111>$ directions are calculated using Full-Potential Linear Augmented Plane Wave basis within generalized gradient approximation. The profiles have…
We present an implementation of the Heyd-Scuseria-Ernzerhof (HSE) hybrid functional within the full-potential linearized augmented-plane-wave (FLAPW) method. Pivotal to the HSE functional is the screened electron-electron interaction, which…
Maximum a posteriori (MAP) inference is an important task for graphical models. Due to complex dependencies among variables in realistic model, finding an exact solution for MAP inference is often intractable. Thus, many approximation…
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…
Plasma wakefield accelerators (PWA), such as AWAKE, require homogenous high-density plasmas. The Madison AWAKE Prototype (MAP) has been built to create a uniform argon plasma in the $10^{20}\,\mathrm{m^{-3}}$ density range using helicon…
In this work we used Particle-In-Cell simulations to study the interaction of circularly polarised Alfv\'en waves with one dimensional plasma density inhomogeneities transverse to the uniform magnetic field (phase mixing) in collisionless…
We used our previously implemented GW approximation (GWA) based on the all-electron full-potential projector augmented wave (PAW) method to study the optical properties of small, medium and large-band-gap semiconductors: Si, GaAs, AlAs,…
Flows in which the primary features of interest do not rely on high-frequency acoustic effects, but in which long-wavelength acoustics play a nontrivial role, present a computational challenge. Integrating the entire domain with…
We describe a novel framework for estimating subsurface properties, such as rock permeability and porosity, from time-lapse observed seismic data by coupling full-waveform inversion, subsurface flow processes, and rock physics models. For…
In outdoor acoustics, the calculations of sound propagating in air can be computationally heavy if the domain is chosen large enough to fulfil the Sommerfeld radiation condition. By strategically truncating the computational domain with a…
In this paper we focus on the integration of high-performance numerical libraries in ab initio codes and the portability of performance and scalability. The target of our work is FLEUR, a software for electronic structure calculations…
Linear programming (LP) is an extremely useful tool and has been successfully applied to solve various problems in a wide range of areas, including operations research, engineering, economics, or even more abstract mathematical areas such…
Motivated by the recently proposed parallel orbital-updating approach in real space method, we propose a parallel orbital-updating based plane-wave basis method for electronic structure calculations, for solving the corresponding eigenvalue…
This paper jointly designs linear precoding (LP) and codebook-based beamforming implemented in a satellite with massive multiple-input multiple-output (mMIMO) antenna technology. The codebook of beamforming weights is built using the…
We present an implementation of localized atomic orbital basis sets in the projector augmented wave (PAW) formalism within the density functional theory (DFT). The implementation in the real-space GPAW code provides a complementary basis…
We propose an adaptive mixed precision and dynamically scaled preconditioned conjugate gradient algorithm (AMP-PCG). It dynamically adjusts the precision for storing vectors and computing, exploiting low precision when appropriate, while…
We derive a corrected analytical solution for the propagation and enhanced phase mixing of torsional Alfv\'en waves, in a potential magnetic field with exponentially divergent field lines, embedded in a stratified solar corona. Further we…
We present a method for the numerical analysis of superconducting quantum circuits combining lumped elements, either linear or non-linear (i.e.~Josephson junctions), and distributed coplanar waveguide (CPW) structures. CPW transmission…
In this work, an implicit scheme for particle-in-cell/Fourier electromagnetic simulations is developed and applied to studies of Alfv\'en waves in one dimension and three-dimensional tokamak plasmas. An analytical treatment is introduced to…