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Parallel algorithms on CPU and GPU are implemented for the Unified Gas-Kinetic Scheme and their performances are investigated and compared by a two dimensional channel flow case. The parallel CPU algorithm has a one dimensional block…

Computational Physics · Physics 2018-11-02 Jizhou Liu , Fang Q. Hu , Xiaodong Li

Recent progress in Graph Neural Networks (GNNs) for modeling atomic simulations has the potential to revolutionize catalyst discovery, which is a key step in making progress towards the energy breakthroughs needed to combat climate change.…

Machine Learning · Computer Science 2022-04-12 Anuroop Sriram , Abhishek Das , Brandon M. Wood , Siddharth Goyal , C. Lawrence Zitnick

Fluid simulations are often performed using the incompressible Navier-Stokes equations (INSE), leading to sparse linear systems which are difficult to solve efficiently in parallel. Recently, kinetic methods based on the…

Graphics · Computer Science 2021-01-29 Yixin Chen , Wei Li , Rui Fan , Xiaopei Liu

This article presents new algorithms for massively parallel granular dynamics simulations on distributed memory architectures using a domain partitioning approach. Collisions are modelled with hard contacts in order to hide their…

Computational Engineering, Finance, and Science · Computer Science 2015-01-26 Tobias Preclik , Ulrich Rüde

Witnessing the advancing scale and complexity of chip design and benefiting from high-performance computation technologies, the simulation of Very Large Scale Integration (VLSI) Circuits imposes an increasing requirement for acceleration…

Data Structures and Algorithms · Computer Science 2023-04-27 Weijie Fang , Yanggeng Fu , Jiaquan Gao , Longkun Guo , Gregory Gutin , Xiaoyan Zhang

We present a GPU implementation of LAMMPS, a widely-used parallel molecular dynamics (MD) software package, and show 5x to 13x single node speedups versus the CPU-only version of LAMMPS. This new CUDA package for LAMMPS also enables…

Materials Science · Physics 2011-03-08 Christian R. Trott , Lars Winterfeld , Paul S. Crozier

Modern atomistic spin simulations combine long stochastic trajectories, thermodynamic sampling, static optimization and multi-image transition-path workflows, all of which rely on repeated evaluation of spin Hamiltonians and become…

Computational Physics · Physics 2026-05-26 Qichen Xu , Anna Delin

Simulation speed matters for neuroscientific research: this includes not only how quickly the simulated model time of a large-scale spiking neuronal network progresses, but also how long it takes to instantiate the network model in computer…

We created an efficient algorithm suitable for graphics processing units (GPUs) to perform Monte Carlo simulations of a subset of reaction-diffusion models. The algorithm uses techniques that are specific to GPU programming, and combines…

Computational Physics · Physics 2013-03-06 R. D. Schram

In this work we present an efficient implementation of Canonical Monte Carlo simulation for Coulomb many body systems on graphics processing units (GPU). Our method takes advantage of the GPU Single Instruction, Multiple Data (SIMD)…

Computational Physics · Physics 2017-03-13 Yihao Liang , Xiangjun Xing , Yaohang Li

We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…

Graphics · Computer Science 2024-03-27 Manas Kale , Paul G. Kry

In order to comprehensively investigate the multiphysics coupling in spintronic devices, it is essential to parallelize and utilize GPU-acceleration to address the spatial and temporal disparities inherent in the relevant physics.…

Computational Engineering, Finance, and Science · Computer Science 2026-02-17 Andy Nonaka , Yingheng Tang , Julian C. LePelch , Prabhat Kumar , Weiqun Zhang , Jorge A. Munoz , Christian Fernandez-Soria , Cesar Diaz , David J. Gardner , Zhi Jackie Yao

While real quantum devices have been increasingly used to conduct research focused on achieving quantum advantage or quantum utility in recent years, executing deep quantum circuits or performing quantum machine learning with large-scale…

Quantum Physics · Physics 2026-04-06 Yoshiaki Kawase

We present a SNN simulator which scales to millions of neurons, billions of synapses, and 8 GPUs. This is made possible by 1) a novel, cache-aware spike transmission algorithm 2) a model parallel multi-GPU distribution scheme and 3) a…

Neural and Evolutionary Computing · Computer Science 2021-09-23 Dennis Bautembach , Iason Oikonomidis , Antonis Argyros

Understanding how people view and interact with autonomous vehicles is important to guide future directions of research. One such way of aiding understanding is through simulations of virtual environments involving people and autonomous…

Robotics · Computer Science 2020-08-27 John Charlton , Luis Rene Montana Gonzalez , Steve Maddock , Paul Richmond

Most Deep Reinforcement Learning (Deep RL) algorithms require a prohibitively large number of training samples for learning complex tasks. Many recent works on speeding up Deep RL have focused on distributed training and simulation. While…

Robotics · Computer Science 2018-10-25 Jacky Liang , Viktor Makoviychuk , Ankur Handa , Nuttapong Chentanez , Miles Macklin , Dieter Fox

Path integral Monte Carlo (PIMC) and path integral molecular dynamics (PIMD) provide the golden standard for the ab initio simulations of identical particles. In this work, we achieved significant GPU acceleration based on PIMD, which is…

Computational Physics · Physics 2026-03-31 Yunuo Xiong

Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent…

Quantum Physics · Physics 2014-08-14 David L. Hayes , Steven T. Flammia , Michael J. Biercuk

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…

Computational Physics · Physics 2026-05-07 Sushrut Kumar , Joshua Romero , Jung-Hee Seo , Massimiliano Fatica , Rajat Mittal

A computer simulation has to be fast to be helpful, if it is employed to study the behavior of a multicomponent dynamic system. This paper discusses modeling concepts and algorithmic techniques useful for creating such fast simulations.…

Data Structures and Algorithms · Computer Science 2007-05-23 Boris D. Lubachevsky