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A new hybrid algorithm for LDU-factorization for large sparse matrix combining iterative solver, which can keep the same accuracy as the classical factorization, is proposed. The last Schur complement will be generated by iterative solver…
A coupling approach is presented to combine a wave-based method to the standard finite element method. This coupling methodology is presented here for the Helmholtz equation but it can be applied to a wide range of wave propagation…
We implement a Becke fuzzy cells type space partitioning scheme for the purposes of exchange-correlation within the GPAW projector augmented-wave method based density functional theory code. Space partitioning is needed in the situation…
In this work we mainly develop a new numerical methodology to solve a PDE model recently proposed in the literature for pricing interest rate derivatives. More precisely, we use high order in time AMFR-W methods, which belong to a class of…
In this paper, we propose a novel approach that harnesses the standard interference function, specifically tailored to address the unique challenges of non-convex optimization in wireless networks. We begin by establishing theoretical…
We consider the preconditioned conjugate gradient method (PCG) with optimal preconditioner in the frame of the boundary element method (BEM) for elliptic first-kind integral equations. Our adaptive algorithm steers the termination of PCG as…
This letter deals with the application of the expectation propagation (EP) algorithm to turbo equalization. The EP has been successfully applied to obtain either a better approximation at the output of the equalizer or at the output of the…
Previous numerical studies have identified "phase mixing" of low-frequency Alfven waves as a mean of parallel electric field amplification and acceleration of electrons in a collisionless plasma. Theoretical explanations are given of how…
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…
Extended full-waveform inversion (FWI) has shown promising results for accurate estimation of subsurface parameters when the initial models are not sufficiently accurate. Frequency-domain applications have shown that the augmented…
The projector-augmented wave (PAW) method is one of the approaches that are widely used to approximately treat core electrons and thus to speed-up plane-wave basis set electronic structure calculations. However, PAW involves approximations…
Self-consistent computations of the potential profile in complex semiconductor heterostructures can be successfully applied for comprehensive simulation of the gain and the absorption spectra, for the analysis of the capture, escape,…
The electronic and geometric properties of bulk fcc delta-plutonium and the quantum size effects in the surface energies and the work functions of the (001) ultra thin films (UTF) up to 7 layers have been investigated with periodic density…
This work introduces PhaseForgePlus -- a computationally efficient, fully open-source workflow for physically-informed CALPHAD model generation and parameter fitting. Using the Pt-W system as an example, we show that the integration of…
The calculation of potential energy surfaces for quantum dynamics can be a time consuming task -- especially when a high level of theory for the electronic structure calculation is required. We propose an adaptive interpolation algorithm…
This paper presents a GPU-accelerated computational framework for reconstructing high resolution (HR) LF images under a mixed Gaussian-Impulse noise condition. The main focus is on developing a high-performance approach considering…
The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…
This paper is concerned with the performance of differential amplify-and-forward (D-AF) relaying for multi-node wireless communications over time-varying Rayleigh fading channels. A first-order auto-regressive model is utilized to…
We use Maxwell's equations to derive several models describing the interaction of the multi-mode fundamental field and its second harmonic in a ring microresonator with quadratic nonlinearity and quasi-phase-matching. We demonstrate how…
By carefully choosing parameters and including more semi-core orbitals as valence electrons, we have constructed a high quality projected augmented wave (PAW) dataset that yields results comparable to existing full-potential linearized…