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Many important real-world applications, such as System Identification with Gaussian Processes, involve solving linear systems with symmetric positive-definite matrices. The iterative CG method and direct solvers based on the Cholesky…
High-order gas-kinetic scheme (HGKS) has become a workable tool for the direct numerical simulation (DNS) of turbulence. In this paper, to accelerate the computation, HGKS is implemented with the graphical processing unit (GPU) using the…
Linear Programs (LPs) appear in a large number of applications and offloading them to a GPU is viable to gain performance. Existing work on offloading and solving an LP on a GPU suggests that there is performance gain generally on large…
Polymerization of C60 molecular crystal under high pressure and high temperature is simulated by using linear scaling tight binding molecular dynamics (TBMD) with Graphic Processing Unit (GPU) as a computational accelerator for…
Current supercomputers often have a heterogeneous architecture using both CPUs and GPUs. At the same time, numerical simulation tasks frequently involve multiphysics scenarios whose components run on different hardware due to multiple…
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…
This paper presents the benchmarking and scaling studies of a GPU accelerated three dimensional compressible magnetohydrodynamic code. The code is developed keeping an eye to explain the large and intermediate scale magnetic field…
We present a MATLAB script which can use GPU acceleration to simulate a trapped ion interacting with a low-density cloud of atoms. This script, called atomiongpu.m, can massively parallelize MD simulations of trajectories of a trapped ion…
Unstructured-mesh ocean models are increasingly used for coastal applications due to their ability to represent complex geometries and apply local grid refinement where needed. However, their broader use has been hindered by their high…
Low-luminosity Active Galactic Nuclei (AGN) are believed to be surrounded by a collisionless, highly magnetized accretion flow. As a result, Particle-in-Cell simulations are the best tools to study the immediate vicinity of the event…
Current trends in parallel processors call for the design of efficient massively parallel algorithms for scientific computing. Parallel algorithms for Monte Carlo simulations of thermodynamic ensembles of particles have received little…
The high computational cost of ab-initio methods limits their application in predicting electronic properties at the device scale. Therefore, an efficient method is needed to map the atomic structure to the electronic structure quickly.…
To enable heterogeneous computing systems with autonomous programming and optimization capabilities, we propose a unified, end-to-end, programmable graph representation learning (PGL) framework that is capable of mining the complexity of…
This paper introduces soliton_solver, an open-source GPU-accelerated software package for the simulation and real-time visualization of topological solitons in two-dimensional non-linear field theories. The software is structured around a…
We present a massively parallel, GPU-accelerated implementation of the Bethe-Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting…
The paradigm shift towards multi-core and heterogeneous computing, driven by the fundamental power and thermal limits of single-core processors, has established energy efficiency as a first-class design constraint in high-performance…
Computational fluid dynamics and fluid-structure interaction simulations involving moving and deforming bodies is extremely hard. In this work, we present a graphical processing unit (GPU) optimized implementation of the sharp-interface…
Among several techniques available for solving Computational Electromagnetics (CEM) problems, the Finite Difference Time Domain (FDTD) method is one of the best suited approaches when a parallelized hardware platform is used. In this paper…
In this work we consider Runge-Kutta discontinuous Galerkin methods (RKDG) for the solution of hyperbolic equations enabling high order discretization in space and time. We aim at an efficient implementation of DG for Euler equations on…
This paper explores strategies to transform an existing CPU-based high-performance computational fluid dynamics solver, HyPar, for compressible flow simulations on emerging exascale heterogeneous (CPU+GPU) computing platforms. The…