Related papers: Iterative Poisson Solvers for Self-gravity with th…
We consider the distributed training of large-scale neural networks that serve as PDE solvers producing full field outputs. We specifically consider neural solvers for the generalized 3D Poisson equation over megavoxel domains. A scalable…
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…
Developing accurate solvers for the Poisson Boltzmann (PB) model is the first step to make the PB model suitable for implicit solvent simulation. Reducing the grid size influence on the performance of the solver benefits to increasing the…
Solving large-scale linear systems problems is a cornerstone in scientific and industrial computing. Classical iterative solvers face increasing difficulty as the number of unknowns becomes large, while fully quantum linear solvers require…
We develop a numerical hydrodynamics code using a pseudo-Newtonian formulation that uses the weak field approximation for the geometry, and a generalized source term for the Poisson equation that takes into account relativistic effects. The…
This paper presents an efficient high-order sharp-interface method for solving the three-dimensional (3D) Poisson equation with Dirichlet boundary conditions on a nonuniform Cartesian grid with irregular domain boundaries. The new approach…
Many methods solve Poisson equations by using grid techniques which discretize the problem in each dimension. Most of these algorithms are subject to the curse of dimensionality, so that they need exponential runtime. In the paper "Quantum…
We compare two approaches to compute a portion of the spectrum of dense symmetric definite generalized eigenproblems: one is based on the reduction to tridiagonal form, and the other on the Krylov-subspace iteration. Two large-scale…
Low order, sequential or non-massively parallel finite elements are generaly used for three-dimensional gravity modelling. In this paper, in order to obtain better gravity anomaly solutions in heterogeneous media, we solve the gravimetry…
This paper highlights first steps towards enabling graphics processing unit (GPU) acceleration of the task-parallel smoothed particle hydrodynamics (SPH) solver SWIFT. Novel combinations of algorithms are presented, enabling SWIFT to…
We present a multigrid algorithm for self consistent solution of the Kohn-Sham equations in real space. The entire problem is discretized on a real space mesh with a high order finite difference representation. The resulting self consistent…
In this paper a new scalable hydrodynamic code GPUPEGAS (GPU-accelerated PErformance Gas Astrophysic Simulation) for simulation of interacting galaxies is proposed. The code is based on combination of Godunov method as well as on the…
In VLSI physical design, many algorithms require the solution of difficult combinatorial optimization problems such as max/min-cut, max-flow problems etc. Due to the vast number of elements typically found in this problem domain, these…
We consider large linear systems arising from the isogeometric discretization of the Poisson problem on a single-patch domain. The numerical solution of such systems is considered a challenging task, particularly when the degree of the…
This article presents an optimized algorithm and implementation for calculating resolution-of-the-identity Hartree-Fock (RI-HF) energies and analytic gradients using multiple Graphics Processing Units (GPUs). The algorithm is especially…
[Abridged] We present the results of a highly parallel Kepler equation solver using the Graphics Processing Unit (GPU) on a commercial nVidia GeForce 280GTX and the "Compute Unified Device Architecture" programming environment. We apply…
This paper deals with linear algebra operations on Graphics Processing Unit (GPU) with complex number arithmetic using double precision. An analysis of their uses within iterative Krylov methods is presented to solve acoustic problems.…
Coarse grid projection (CGP) multigrid techniques are applicable to sets of equations that include at least one decoupled linear elliptic equation. In CGP, the linear elliptic equation is solved on a coarsened grid compared to the other…
In the present paper we concentrate on an important issue in constructing a good multigrid solver: the choice of an efficient smoother. We will introduce all-at-once multigrid solvers for optimal control problems which show robust…
A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the…