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An accurate algorithm is proposed to improve the prediction of a particle in collision with a moving wall within the direct simulation Monte Carlo (DSMC) framework for the simulation of unsteady rarefied flows. This algorithm is able to…

Computational Physics · Physics 2021-09-29 He Zhang , Fanli Shan , Hong Fang , Xing Zhang , Jun Zhang , Jinghua Sun

In the AI-for-science era, scientific computing scenarios such as concurrent learning and high-throughput computing demand a new generation of infrastructure that supports scalable computing resources and automated workflow management on…

The Maximum Flow (Max-Flow) problem is a cornerstone in graph theory and combinatorial optimization, aiming to determine the largest possible flow from a designated source node to a sink node within a capacitated flow network. It has…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-04 Shruthi Kannappan , Ashwina Kumar , Rupesh Nasre

The answers to data assimilation questions can be expressed as path integrals over all possible state and parameter histories. We show how these path integrals can be evaluated numerically using a Markov Chain Monte Carlo method designed to…

Computational Physics · Physics 2015-05-27 John C. Quinn , Henry D. I. Abarbanel

We present the interface between MadGraph5_aMC@NLO, a self-contained program that calculates cross sections up to next-to-leading order accuracy in an automated manner, and APPLgrid, a code that parametrises such cross sections in the form…

High Energy Physics - Phenomenology · Physics 2015-06-22 Valerio Bertone , Rikkert Frederix , Stefano Frixione , Juan Rojo , Mark Sutton

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

In GPU-accelerated data analytics, the overhead of data transfer from CPU to GPU becomes a performance bottleneck when the data scales beyond GPU memory capacity due to the limited PCIe bandwidth. Data compression has come to rescue for…

Databases · Computer Science 2026-02-10 Gwangoo Yeo , Zhiyang Shen , Wei Cui , Matteo Interlandi , Rathijit Sen , Bailu Ding , Qi Chen , Minsoo Rhu

We present a scalable dissipative particle dynamics simulation code, fully implemented on the Graphics Processing Units (GPUs) using a hybrid CUDA/MPI programming model, which achieves 10-30 times speedup on a single GPU over 16 CPU cores…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-12-01 Yu-Hang Tang , George Em Karniadakis

Over the past decade, machine learning model complexity has grown at an extraordinary rate, as has the scale of the systems training such large models. However there is an alarmingly low hardware utilization (5-20%) in large scale AI…

Hardware Architecture · Computer Science 2022-11-14 Newsha Ardalani , Saptadeep Pal , Puneet Gupta

To increase performance and efficiency, systems use FPGAs as reconfigurable accelerators. A key challenge in designing these systems is partitioning computation between processors and an FPGA. An appropriate division of labor may be…

Hardware Architecture · Computer Science 2021-07-21 Endri Bezati , Mahyar Emami , Jörn Janneck , James Larus

Oscillation probability calculations are becoming increasingly CPU intensive in modern neutrino oscillation analyses. The independency of reweighting individual events in a Monte Carlo sample lends itself to parallel implementation on a…

Data Analysis, Statistics and Probability · Physics 2014-05-12 R. G. Calland , A. C. Kaboth , D. Payne

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…

Computational Engineering, Finance, and Science · Computer Science 2024-12-10 Samuel Kemmler , Christoph Rettinger , Ulrich Rüde , Pablo Cuéllar , Harald Köstler

An increasing number of applications are exploiting sampling-based algorithms for planning, optimization, and inference. The Markov Chain Monte Carlo (MCMC) algorithms form the computational backbone of this emerging branch of machine…

Machine Learning · Computer Science 2025-07-18 Shirui Zhao , Jun Yin , Lingyun Yao , Martin Andraud , Wannes Meert , Marian Verhelst

The Center for Exascale Monte Carlo Neutron Transport is developing Monte Carlo / Dynamic Code (MC/DC) as a portable Monte Carlo neutron transport package for rapid numerical methods exploration on CPU- and GPU-based high-performance…

Computational Physics · Physics 2025-05-30 Joanna Piper Morgan , Braxton Cuneo , Ilham Variansyah , Kyle E. Niemeyer

The article reviews fluid flow models implemented in the leading CFD software tools and designed for simulation of multi-component and multi-phase flows, compressible flows, flows with heat transfer, cavitation and other phenomena. The…

Fluid Dynamics · Physics 2007-05-23 Alexey N. Kochevsky

Taskflow aims to streamline the building of parallel and heterogeneous applications using a lightweight task graph-based approach. Taskflow introduces an expressive task graph programming model to assist developers in the implementation of…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-08 Tsung-Wei Huang , Dian-Lun Lin , Chun-Xun Lin , Yibo Lin

We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…

Chemical Physics · Physics 2025-08-22 Indranil Mal , Milan Kočí , Paolo Nicolini , Prokop Hapala

As the need for more computing power grows, traditional methods are hitting limits. To boost performance, we're expanding Central Processing Unit (CPU) capabilities and using specialized hardware accelerators. For example, mobile devices…

Hardware Architecture · Computer Science 2026-05-21 Hassan Nassar , Rafik Youssef , Lars Bauer , Jörg Henkel

In non-linear systems, where explicit analytic solutions usually can't be found, visualisation is a powerful approach which can give insights into the dynamical behaviour of models; it is also crucial for teaching this area of mathematics.…

Mathematical Software · Computer Science 2016-01-20 Robert Merrison-Hort

Maxflow is a fundamental problem in graph theory and combinatorial optimisation, used to determine the maximum flow from a source node to a sink node in a flow network. It finds applications in diverse domains, including computer networks,…

Data Structures and Algorithms · Computer Science 2025-11-11 Shruthi Kannappan , Ashwina Kumar , Rupesh Nasre