Related papers: Examining the Analytic Structure of Green's Functi…
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…
We present a novel implementation of the modal discontinuous Galerkin (DG) method for hyperbolic conservation laws in two dimensions on graphics processing units (GPUs) using NVIDIA's Compute Unified Device Architecture (CUDA). Both…
The alpha complex, a subset of the Delaunay triangulation, has been extensively used as the underlying representation for biomolecular structures. We propose a GPU-based parallel algorithm for the computation of the alpha complex, which…
Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…
The main objective of this work consists in analyzing sub-structuring method for the parallel solution of sparse linear systems with matrices arising from the discretization of partial differential equations such as finite element, finite…
The Marchenko method allows estimating Green's functions with a virtual source in the subsurface from a reflection response on the surface. It is an inverse problem that can be solved directly or by an iterative scheme, with the latter…
Modern graphics computing units (GPUs) are designed and optimized to perform highly parallel numerical calculations. This parallelism has enabled (and promises) significant advantages, both in terms of energy performance and calculation. In…
We provide a preliminary study on utilizing GPU (Graphics Processing Unit) to accelerate computation for three simulation optimization tasks with either first-order or second-order algorithms. Compared to the implementation using only CPU…
Much of the current focus in high-performance computing is on multi-threading, multi-computing, and graphics processing unit (GPU) computing. However, vectorization and non-parallel optimization techniques, which can often be employed…
GPU-embedded systems have gained popularity across various domains due to their efficient power consumption. However, in order to meet the demands of real-time or time-consuming applications running on these systems, it is crucial for them…
We implement exact triangle counting in graphs on the GPU using three different methodologies: subgraph matching to a triangle pattern; programmable graph analytics, with a set-intersection approach; and a matrix formulation based on sparse…
As in various fields like scientific research and industrial application, the computation time optimization is becoming a task that is of increasing importance because of its highly parallel architecture. The graphics processing unit is…
Large scale-free graphs are famously difficult to process efficiently: the skewed vertex degree distribution makes it difficult to obtain balanced partitioning. Our research instead aims to turn this into an advantage by partitioning the…
The computation of Lagrangian coherent structures (LCS) has become a standard tool for the analysis of advective transport in unsteady flow applications. LCS identification is primarily accomplished by evaluating measures based on the…
Image Processing is a specialized area of Digital Signal Processing which contains various mathematical and algebraic operations such as matrix inversion, transpose of matrix, derivative, convolution, Fourier Transform etc. Operations like…
We demonstrate how to explicitly calculate the QED path integral and associated Green functions, exactly, in curved spacetime, with retention of the boundary terms, to infinite order, for any and all spacetime manifolds with sufficient…
This work presents a GPU-accelerated solver for the unit commitment (UC) problem in large-scale power grids. The solver uses the Primal-Dual Hybrid Gradient (PDHG) algorithm to efficiently solve the relaxed linear subproblem, achieving…
A parallel algorithm for the implementation of the recursive Green's function technique, which is extensively applied in the coherent scattering formalism, is developed. The algorithm performs a domain decomposition of the scattering region…
Computation of bounding boxes is a fundamental problem in high performance rendering, as it is an input to visibility culling and binning operations. In a scene description structured as a tree, clip nodes and blend nodes entail…
We consider Monte Carlo simulations of classical spin models of statistical mechanics using the massively parallel architecture provided by graphics processing units (GPUs). We discuss simulations of models with discrete and continuous…