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Matrix-accelerated stencil computation is a hot research topic, yet its application to three-dimensional (3D) high-order stencils and HPC remains underexplored. With the emergence of matrix units on multicore CPUs, we analyze matrix-based…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-07-16 Yinuo Wang , Tianqi Mao , Lin Gan , Wubing Wan , Zeyu Song , Jiayu Fu , Lanke He , Wenqiang Wang , Zekun Yin , Wei Xue , Guangwen Yang

We present $\texttt{cunusht}$, a general-purpose Python package that wraps a highly efficient CUDA implementation of the nonuniform spin-$0$ spherical harmonic transform. The method is applicable to arbitrary pixelization schemes, including…

Instrumentation and Methods for Astrophysics · Physics 2024-06-24 Sebastian Belkner , Adriaan J. Duivenvoorden , Julien Carron , Nathanael Schaeffer , Martin Reinecke

Adaptive finite elements combined with geometric multigrid solvers are one of the most efficient numerical methods for problems such as the instationary Navier-Stokes equations. Yet despite their efficiency, computations remain expensive…

Numerical Analysis · Mathematics 2025-12-23 Manuel Liebchen , Robert Jendersie , Utku Kaya , Christian Lessig , Thomas Richter

Gravitational lensing calculation using a direct inverse ray-shooting approach is a computationally expensive way to determine magnification maps, caustic patterns, and light-curves (e.g. as a function of source profile and size). However,…

Instrumentation and Methods for Astrophysics · Physics 2009-09-28 Alexander C. Thompson , Christopher J. Fluke , David G. Barnes , Benjamin R. Barsdell

We accelerated an ab-initio molecular QMC calculation by using GPGPU. Only the bottle-neck part of the calculation is replaced by CUDA subroutine and performed on GPU. The performance on a (single core CPU + GPU) is compared with that on a…

Computational Physics · Physics 2012-04-06 Yutaka Uejima , Tomoharu Terashima , Ryo Maezono

We present an alternative GPU acceleration for plane waves pseudopotentials electronic structure codes designed for systems that have small unit cells but require a large number of k points to sample the Brillouin zone as happens, for…

Materials Science · Physics 2025-07-31 Xuejun Gong , Andrea Dal Corso

With large-scale Integral Field Spectroscopy (IFS) surveys of thousands of galaxies currently under-way or planned, the astronomical community is in need of methods, techniques and tools that will allow the analysis of huge amounts of data.…

Instrumentation and Methods for Astrophysics · Physics 2015-12-22 Georgios Bekiaris , Karl Glazebrook , Christopher J. Fluke , Roberto Abraham

Quasiparticle self-consistent many-body perturbation theory (MBPT) methods that update both eigenvalues and eigenvectors can calculate the excited-state properties of molecular systems without depending on the choice of starting points.…

Materials Science · Physics 2023-12-05 Young-Moo Byun , Jejoong Yoo

We employ the Partially Saturated Cells Method (PSM) to model the interaction between the fluid flow and solid moving objects as an extension to the conventional lattice Boltzmann method. We introduce an efficient and accurate method for…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-02-28 P. Suffa , S. Kemmler , H. Koestler , U. Ruede

We describe how quantum Monte Carlo calculations using the CASINO software can be accelerated using graphics processing units (GPUs) and OpenACC. In particular we consider offloading Ewald summation, the evaluation of long-range two-body…

Computational Physics · Physics 2025-12-24 B. Thorpe , M. J. Smith , P. J. Hasnip , N. D. Drummond

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…

3D intelligence leverages rich 3D features and stands as a promising frontier in AI, with 3D rendering fundamental to many downstream applications. 3D Gaussian Splatting (3DGS), an emerging high-quality 3D rendering method, requires…

Graphics · Computer Science 2025-04-14 Sixu Li , Ben Keller , Yingyan Celine Lin , Brucek Khailany

The realized stochastic volatility (RSV) model that utilizes the realized volatility as additional information has been proposed to infer volatility of financial time series. We consider the Bayesian inference of the RSV model by the Hybrid…

Computational Finance · Quantitative Finance 2016-11-28 Tetsuya Takaishi

BATSRUS, our state-of-the-art extended magnetohydrodynamic code, is the most used and one of the most resource-consuming models in the Space Weather Modeling Framework. It has always been our objective to improve its efficiency and speed…

Instrumentation and Methods for Astrophysics · Physics 2025-01-14 Yifu An , Yuxi Chen , Hongyang Zhou , Alexander Gaenko , Gábor Tóth

We describe an algorithm for computing an inverse spherical harmonic transform suitable for graphic processing units (GPU). We use CUDA and base our implementation on a Fortran90 routine included in a publicly available parallel package,…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-05-22 Ioan O. Hupca , Joel Falcou , Laura Grigori , Radek Stompor

We consider differential Lyapunov and Riccati equations, and generalized versions thereof. Such equations arise in many different areas and are especially important within the field of optimal control. In order to approximate their…

Numerical Analysis · Mathematics 2018-10-23 Hermann Mena , Lena-Maria Pfurtscheller , Tony Stillfjord

We present NuMagSANS, a GPU-accelerated software package for calculating nuclear and magnetic small-angle neutron scattering (SANS) cross sections and correlation functions. The program allows users to import position-dependent nuclear…

Materials Science · Physics 2026-01-27 Michael P. Adams , Andreas Michels

We use the graphics processing unit (GPU) for fast calculations of helicity amplitudes of physics processes. As our first attempt, we compute $u\bar{u}\to n\gamma$ ($n=2$ to 8) processes in $pp$ collisions at $\sqrt{s} = 14$TeV by…

Computational Physics · Physics 2010-10-12 K. Hagiwara , J. Kanzaki , N. Okamura , D. Rainwater , T. Stelzer

We propose a universal method for the evaluation of generalized standard materials that greatly simplifies the material law implementation process. By means of automatic differentiation and a numerical integration scheme, AutoMat reduces…

Computational Engineering, Finance, and Science · Computer Science 2021-11-09 Johannes Blühdorn , Nicolas R. Gauger , Matthias Kabel

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…

Computational Physics · Physics 2013-10-10 You-Liang Zhu , Hong Liu , Zhan-Wei Li , Hu-Jun Qian , Giuseppe Milano , Zhong-Yuan Lu