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Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

We present the development and benchmarking of Poisson solvers for graphics processing units (GPUs). Implemented in the Astaroth platform, the solvers feature high computational efficiency. We present novel combinations of discretizations…

Instrumentation and Methods for Astrophysics · Physics 2026-05-06 Ruben Krasnopolsky , Touko Puro , Wei-Wen Li , Hsien Shang , Miikka S. Väisälä , Mordecai-Mark Mac Low , Matthias Rheinhardt , Maarit Korpi-Lagg

We study exact sparse linear regression with an $\ell_0-\ell_2$ penalty and develop a branch-and-bound (BnB) algorithm explicitly designed for GPU execution. Starting from a perspective reformulation, we derive an interval relaxation that…

Optimization and Control · Mathematics 2026-02-05 Xiang Meng , Ryan Lucas , Rahul Mazumder

We present the design and optimization of a linear solver on General Purpose GPUs for the efficient and high-throughput evaluation of the marginalized graph kernel between pairs of labeled graphs. The solver implements a preconditioned…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-05-20 Yu-Hang Tang , Oguz Selvitopi , Doru Popovici , Aydın Buluç

The past decade has witnessed a dramatic acceleration of lattice quantum chromodynamics calculations in nuclear and particle physics. This has been due to both significant progress in accelerating the iterative linear solvers using…

High Energy Physics - Lattice · Physics 2016-12-26 M. A. Clark , Bálint Joó , Alexei Strelchenko , Michael Cheng , Arjun Gambhir , Richard Brower

Finite element schemes based on discontinuous Galerkin methods possess features amenable to massively parallel computing accelerated with general purpose graphics processing units (GPUs). However, the computational performance of such…

Computational Physics · Physics 2016-04-20 Axel Modave , Amik St-Cyr , Tim Warburton

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

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…

High Energy Physics - Theory · Physics 2026-03-26 Paul Leask

Finite element analysis of solid mechanics is a foundational tool of modern engineering, with low-order finite element methods and assembled sparse matrices representing the industry standard for implicit analysis. We use performance models…

We utilize the Open Accelerator (OpenACC) approach for graphics processing unit (GPU) accelerated particle-resolved thermal lattice Boltzmann (LB) simulation. We adopt the momentum-exchange method to calculate fluid-particle interactions to…

Fluid Dynamics · Physics 2023-10-06 Ao Xu , Bo-Tao Li

We demonstrate a high-performance vendor-agnostic method for massively parallel solving of ensembles of ordinary differential equations (ODEs) and stochastic differential equations (SDEs) on GPUs. The method is integrated with a widely used…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-20 Utkarsh Utkarsh , Valentin Churavy , Yingbo Ma , Tim Besard , Prakitr Srisuma , Tim Gymnich , Adam R. Gerlach , Alan Edelman , George Barbastathis , Richard D. Braatz , Christopher Rackauckas

An efficient linear solver plays an important role while solving partial differential equations (PDEs) and partial integro-differential equations (PIDEs) type mathematical models. In most cases, the efficiency depends on the stability and…

Numerical Analysis · Mathematics 2013-04-15 Samir Kumar Bhowmik

We present a novel, hardware-agnostic implementation strategy for lattice Boltzmann (LB) simulations, which yields massive performance on homogeneous and heterogeneous many-core platforms. Based solely on C++17 Parallel Algorithms, our…

Computational Physics · Physics 2021-05-11 Jonas Latt , Christophe Coreixas , Joël Beny

Ferroelectric materials can be used for the development of multiple device concepts combining non-volatility, small dimensions, low-power actuation, and electrical tunability. Such development demands efficient and precise design of…

The Variational Quantum Eigensolver (VQE) algorithm is gaining interest for its potential use in near-term quantum devices. In the VQE algorithm, parameterized quantum circuits (PQCs) are employed to prepare quantum states, which are then…

Quantum Physics · Physics 2023-12-29 Atsushi Matsuo , Yudai Suzuki , Ikko Hamamura , Shigeru Yamashita

Energy system optimization models are increasing in scope and resolution, yielding large and challenging linear programs. For a long time, the standard way to address such problems has relied on shared-memory interior-point methods (IPM),…

Optimization and Control · Mathematics 2026-05-07 Janina Zittel , Annika Buchholz , Michael Bussieck , Frederik Fiand , Thorsten Koch , Lukas Mehl , Niels Lindner , Manuel Wetzel

Solving exactly Combinatorial Optimization Problems (COPs) using a Branch-and-Bound (B&B) algorithm requires a huge amount of computational resources. Therefore, we recently investigated designing B&B algorithms on top of graphics…

Distributed, Parallel, and Cluster Computing · Computer Science 2012-06-22 Imen Chakroun , Nouredine Melab

Simulating the dynamic characteristics of a PN junction at the microscopic level requires solving the Poisson's equation at every time step. Solving at every time step is a necessary but time-consuming process when using the traditional…

Computational Physics · Physics 2018-10-26 Zhongyang Zhang , Ling Zhang , Ze Sun , Nicholas Erickson , Ryan From , Jun Fan

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-04-19 Jinghai He , Haoyu Liu , Yuhang Wu , Zeyu Zheng , Tingyu Zhu

The Poisson pressure solve resulting from the spectral element discretization of the incompressible Navier-Stokes equation requires fast, robust, and scalable preconditioning. In the current work, a parallel scaling study of…

Numerical Analysis · Mathematics 2021-12-14 Malachi Phillips , Stefan Kerkemeier , Paul Fischer