Related papers: Scalable Parallel Numerical Methods and Software T…
Recently developed simple approach for the exact/approximate solution of Schrodinger equations with constant/position-dependent mass, in which the potential is considered as in the perturbation theory, is shown to be equivalent to the one…
Chebyshev polynomials have shown significant promise as an efficient tool for both classical and quantum neural networks to solve linear and nonlinear differential equations. In this work, we adapt and generalize this framework in a quantum…
In scientific computing, the acceleration of atomistic computer simulations by means of custom hardware is finding ever growing application. A major limitation, however, is that the high efficiency in terms of performance and low power…
The recent evolution of software and hardware technologies is leading to a renewed computational interest in Particle-In-Cell (PIC) methods such as the Material Point Method (MPM). Indeed, provided some critical aspects are properly…
A parallel implementation of an eigensolver designed for electronic structure calculations is presented. The method is applicable to computational tasks that solve a sequence of eigenvalue problems where the solution for a particular…
We present a fully adaptive multiresolution scheme for spatially one-dimensional quasilinear strongly degenerate parabolic equations with zero-flux and periodic boundary conditions. The numerical scheme is based on a finite volume…
A multigrid method is proposed for solving nonlinear eigenvalue problems by the finite element method. With this new scheme, solving nonlinear eigenvalue problem is decomposed to a series of solutions of linear boundary value problems on…
In this paper, we present very first results for the adaptive solution on a grid of the phase space of the Vlasov equation arising in particles accelarator and plasma physics. The numerical algorithm is based on a semi-Lagrangian method…
A supersymmetric technique for the solution of the effective mass Schr\"{o}% dinger equation is proposed. Exact solutions of the Schroedinger equation corresponding to a number of potentials are obtained. The potentials are fully…
In this paper we propose fast solution methods for the Cauchy problem for the multidimensional Schr\"odinger equation. Our approach is based on the approximation of the data by the basis functions introduced in the theory of approximate…
In this article we are interested for the numerical study of nonlinear eigenvalue problems. We begin with a review of theoretical results obtained by functional analysis methods, especially for the Schrodinger pencils. Some recall are given…
The auxiliary field method is a powerful technique to obtain approximate closed-form energy formulas for eigenequations in quantum mechanics. Very good results can be obtained for Schr\"odinger and semirelativistic Hamiltonians with various…
A general real-space multigrid algorithm for the self-consistent solution of the Kohn-Sham equations appearing in the state-of-the-art electronic-structure calculations is described. The most important part of the method is the multigrid…
In this work, a local Fourier analysis is presented to study the convergence of multigrid methods based on additive Schwarz smoothers. This analysis is presented as a general framework which allows us to study these smoothers for any type…
In this paper, a new type of multi-level correction scheme is proposed for solving eigenvalue problems by finite element method. With this new scheme, the accuracy of eigenpair approximations can be improved after each correction step which…
We present a set of efficient techniques in first-principles electronic-structure calculations utilizing the real-space finite-difference method. These techniques greatly reduce the overhead for performing integrals that involve…
We treat the eigenvalue problem posed by self-similar potentials, i.e. homogeneous functions under a particular affine transformation, by means of symmetry techniques. We find that the eigenfunctions of such problems are localized, even…
A new technique was recently developed to approximate the solution of the Schroedinger equation. This approximation (dubbed ERS) is shown to yield a better accuracy than the WKB-approximation. Here, we review the ERS approximation and its…
We develop a high accuracy power series method for solving partial differential equations with emphasis on the nonlinear Schr\"odinger equations. The accuracy and computing speed can be systematically and arbitrarily increased to orders of…
We present the first parallel algorithm for solving systems of linear equations in symmetric, diagonally dominant (SDD) matrices that runs in polylogarithmic time and nearly-linear work. The heart of our algorithm is a construction of a…