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We study regularity and numerical methods for two-sided fractional diffusion equations with a lower-order term. We show that the regularity of the solution in weighted Sobolev spaces can be greatly improved compared to that in standard…
This is a review paper outlining recent progress in the spectral analysis of first order systems. We work on a closed manifold and study an elliptic self-adjoint first order system of linear partial differential equations. The aim is to…
In order to account for competition and interplay of localized and itinerant magnetic behaviour in correlated many body systems with complex spectra the various types of spin-fermion models have been considered in the context of the…
Numerical approximation of the Boltzmann equation presents a challenging problem due to its high-dimensional, nonlinear, and nonlocal collision operator. Among the deterministic methods, the Fourier-Galerkin spectral method stands out for…
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Spectral function is a key tool for understanding the behavior of Bose-Einstein condensates of cold atoms in random potentials generated by a laser speckle. In this paper we introduce a new method for computing the spectral functions in…
The Generalized Eigenvalue Problem (GEVP) has been used extensively in the past in order to reliably extract energy levels from time-dependent Euclidean correlators calculated in Lattice QCD. We propose a formulation of the GEVP in…
The LDA+U method is widely used to study the properties of realistic solids with strong electron correlations. One of its main shortcomings is that it does not provide direct access to the temperature dependence of material properties such…
The generalised Gegenbauer functions of fractional degree (GGF-Fs), denoted by ${}^{r\!}G^{(\lambda)}_\nu(x)$ (right GGF-Fs) and ${}^{l}G^{(\lambda)}_\nu(x)$ (left GGF-Fs) with $x\in (-1,1),$ $\lambda>-1/2$ and real $\nu\ge 0,$ are special…
We introduce a practical hybrid approach that combines orbital-free density functional theory (DFT) with Kohn-Sham DFT for speeding up first-principles molecular dynamics simulations. Equilibrated ionic configurations are generated using…
In many mechanical, electrical, and general physical systems evolving over time or space, spectral analysis methods as Fast Fourier Transform (FFT), Short Term Fourier Transform (STFT), Power Spectrum Density (PSD) plays a very important…
Differential modulation schemes are very relevant in receivers having power and processing limitations, as these schemes dispense with the need for knowledge of channel coefficients for symbol detection. Spatial modulation (SM) is a scheme…
Slater basis functions have desirable properties that can improve electronic structure simulations, but improved numerical integration methods are needed. This work builds upon the SlaterGPU library for evaluation of Hamiltonian matrix…
The finite difference time domain (FDTD) method has been successfully applied to obtain energies and wave functions for two electrons in a quantum dot modeled by a three dimensional harmonic potential. The FDTD method uses the…
We develop a computational method for modeling electrostatic interactions of arbitrarily-shaped, polarizable objects on colloidal length scales, including colloids/nanoparticles, polymers, and surfactants, dispersed in explicit ion…
Advancements in theoretical and algorithmic approaches, workflow engines, and an ever-increasing computational power have enabled a novel paradigm for materials discovery through first-principles high-throughput simulations. A major…
In the spectral Petrov-Galerkin methods, the trial and test functions are required to satisfy particular boundary conditions. By a suitable linear combination of orthogonal polynomials, a basis, that is called the modal basis, is obtained.…
High-efficient direct numerical methods are currently in demand for optimization procedures in the fields of both conventional diffractive and metasurface optics. With a view of extending the scope of application of the previously proposed…
We apply the Hulth\`en-Kohn method suggested by V. D. Efros [Phys. Rev. C 99, 034620 (2019)] for calculating various observables in the continuum and discrete spectrum using two-body interactions in single- and coupled-channel systems. This…