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This paper describes some applications of GPU acceleration in ab initio nuclear structure calculations. Specifically, we discuss GPU acceleration of the software package MFDn, a parallel nuclear structure eigensolver. We modify the matrix…

The expedient design of precision components in aerospace and other high-tech industries requires simulations of physical phenomena often described by partial differential equations (PDEs) without exact solutions. Modern design problems…

Computational Physics · Physics 2018-01-11 Daniel J Magee , Kyle E Niemeyer

In this paper we present an optimized parallel implementation of a flexible MAP decoder for synchronization error correcting codes, supporting a very wide range of code sizes and channel conditions. On mid-range GPUs we demonstrate decoding…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-02-26 Johann A. Briffa

Modern graphics processing units (GPUs) provide impressive computing resources, which can be accessed conveniently through the CUDA programming interface. We describe how GPUs can be used to considerably speed up molecular dynamics (MD)…

Computational Physics · Physics 2011-04-08 Peter H. Colberg , Felix Höfling

It has been widely accepted that Graphics Processing Units (GPU) is one of promising schemes for encryption acceleration, in particular, the support of complex mathematical calculations such as integer and logical operations makes the…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-02-15 Canhui Wang , Xiaowen Chu

The quantum algorithm of Quantum Phase Estimation (QPE) was implemented to make the maximum use of GPU emulation with cuQuantum and CUDA Toolkit by NVIDIA. The input and output were handled by HDF5 to make the process as easy as possible.…

Quantum Physics · Physics 2025-07-24 Takaki Akiba , Youhi Morii

With the advent of high-performance computing techniques, the data for analysis has grown significantly. Here, graphic processing unit (GPU) based program kernels are discussed to exploit parallelism in the analysis codes specific to…

Computational Physics · Physics 2018-11-07 Gourav Shrivastav , Manish Agarwal

The implementation of a proof-of-concept Lattice Quantum Chromodynamics kernel on the Cell processor is described in detail, illustrating issues encountered in the porting process. The resulting code performs up to 45GFlop/s per socket,…

High Energy Physics - Lattice · Physics 2008-11-26 J. Spray , J. Hill , A. Trew

Graphics processing units have been extensively used to accelerate classical molecular dynamics simulations. However, there is much less progress on the acceleration of force evaluations for many-body potentials compared to pairwise ones.…

Computational Physics · Physics 2017-06-27 Zheyong Fan , Wei Chen , Ville Vierimaa , Ari Harju

This work presents an updated and extended guide on methods of a proper acceleration of the Monte Carlo integration of stochastic differential equations with the commonly available NVIDIA Graphics Processing Units using the CUDA programming…

Computational Physics · Physics 2015-04-23 J. Spiechowicz , M. Kostur , L. Machura

We introduce a fusion of GPU accelerated primal heuristics for Mixed Integer Programming. Leveraging GPU acceleration enables exploration of larger search regions and faster iterations. A GPU-accelerated PDLP serves as an approximate LP…

Optimization and Control · Mathematics 2025-10-31 Akif Çördük , Piotr Sielski , Alice Boucher , Kumar Aatish

Future computing systems, from handhelds to supercomputers, will undoubtedly be more parallel and heterogeneous than todays systems to provide more performance and energy efficiency. Thus, GPUs are increasingly being used to accelerate…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-10-18 Saeed Taheri , Apan Qasem , Martin Burtscher

Effective Hamiltonian calculations for large quantum systems can be both analytically intractable and numerically expensive using standard techniques. In this manuscript, we present numerical techniques inspired by Nonperturbative…

This work presents the GPU acceleration of the open-source code CaNS for very fast massively-parallel simulations of canonical fluid flows. The distinct feature of the many-CPU Navier-Stokes solver in CaNS is its fast direct solver for the…

Fluid Dynamics · Physics 2021-02-15 Pedro Costa , Everett Phillips , Luca Brandt , Massimiliano Fatica

We propose an optimization approach for determining both hardware and software parameters for the efficient implementation of a (family of) applications called dense stencil computations on programmable GPGPUs. We first introduce a simple,…

Hardware Architecture · Computer Science 2017-12-26 Nirmal Prajapati , Sanjay Rajopadhye , Hristo Djidjev , Nandkishore Santhi , Tobias Grosser , Rumen Andonov

We introduce the first version of GPU4PySCF, a module that provides GPU acceleration of methods in PySCF. As a core functionality, this provides a GPU implementation of two-electron repulsion integrals (ERIs) for contracted basis sets…

Computational Physics · Physics 2024-07-16 Rui Li , Qiming Sun , Xing Zhang , Garnet Kin-Lic Chan

The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…

Computational Physics · Physics 2013-07-31 Jun Yan , Lin Li , Christopher O'Grady

The rise of exascale supercomputers has fueled competition among GPU vendors, driving lattice QCD developers to write code that supports multiple APIs. Moreover, new developments in algorithms and physics research require frequent updates…

Clawpack is a library for solving nonlinear hyperbolic partial differential equations using high-resolution finite volume methods based on Riemann solvers and limiters. It supports Adaptive Mesh Refinement (AMR), which is essential in…

Mathematical Software · Computer Science 2018-08-09 Xinsheng Qin , Randall J. LeVeque , Michael R. Motley

Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-14 Michael Schaffner , Luca Benini
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