Related papers: Fast GPU-based calculations in few-body quantum sc…
Background: The numerical solution of few-body scattering problems with realistic interactions is a difficult problem that normally must be solved on powerful supercomputers, taking a lot of computer time. This strongly limits the…
A general approach to a solution of few- and many-body scattering problems based on a continuum-discretization procedure is described in detail. The complete discretization of continuous spectrum is realized using stationary wave packets…
Formalism based on complex-scaling method is developed for solving the few particle scattering problem by employing only trivial boundary conditions. Several applications are presented proving efficiency of the method in describing elastic…
A brief description of the novel approach towards solving few-body scattering problems in a finite-dimensional functional space of the $L_2$-type is presented. The method is based on the complete few-body continuum discretization in the…
An efficient solver for the three dimensional free-space Poisson equation is presented. The underlying numerical method is based on finite Fourier series approximation. While the error of all involved approximations can be fully controlled,…
We develop a class of emulators for solving quantum three-body scattering problems. They are based on combining the variational method for scattering observables and the recently proposed eigenvector continuation concept. The emulators are…
The paper describes a numerical method for solving acoustic multibody scattering problems in two and three dimensions. The idea is to compute a highly accurate approximation to the scattering operator for each body through a local…
The geometric multigrid method (GMG) is one of the most efficient solving techniques for discrete algebraic systems arising from elliptic partial differential equations. GMG utilizes a hierarchy of grids or discretizations and reduces the…
In this paper we present a methodology for data accesses when solving batches of Tridiagonal and Pentadiagonal matrices that all share the same left-hand-side (LHS) matrix. The intended application is to the numerical solution of Partial…
This paper presents a spectral element finite element scheme that efficiently solves elliptic problems on unstructured hexahedral meshes. The discrete equations are solved using a matrix-free preconditioned conjugate gradient algorithm. An…
In this thesis we develop techniques to efficiently solve numerical Partial Differential Equations (PDEs) using Graphical Processing Units (GPUs). Focus is put on both performance and re--usability of the methods developed, to this end a…
The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…
The conductor-like polarization model (C-PCM) with switching/Gaussian smooth discretization is a widely used implicit solvation model in chemical simulations. However, its application in quantum mechanical calculations of large-scale…
A formalism based on the complex-scaling method is presented to solve the few particle scattering problem in configuration space using bound state techniques with trivial boundary conditions. Several applications to A=3,4 systems are…
We describe the GPU implementation of shifted or multimass iterative solvers for sparse linear systems of the sort encountered in lattice gauge theory. We provide a generic tool that can be used by those without GPU programming experience…
The ability to timely process significant amounts of continuously updated spatial data is mandatory for an increasing number of applications. Parallelism enables such applications to face this data-intensive challenge and allows the devised…
GPUs have significantly accelerated first-order methods for large-scale optimization, especially in continuous optimization. However, this success has not transferred cleanly to problems with discrete variables, combinatorial structure, and…
A novel and scalable geometric multi-level algorithm is presented for the numerical solution of elliptic partial differential equations, specially designed to run with high occupancy of streaming processors inside Graphics Processing…
In this paper we analyse the efficiency, precision, and accuracy of computing elastic nucleon-nucleon (NN) scattering amplitudes with the wave-packet continuum discretisation method (WPCD). This method provides approximate scattering…
We show how to accelerate the direct solution of the Boltzmann equation using Graphics Processing Units (GPUs). In order to fully exploit the computational power of the GPU, we choose a method of solution which combines a finite difference…