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We present an implementation of phaseless Auxiliary-Field Quantum Monte Carlo (ph-AFQMC) utilizing graphical processing units (GPUs). The AFQMC method is recast in terms of matrix operations which are spread across thousands of processing…

计算物理 · 物理学 2018-09-07 James Shee , Evan J. Arthur , Shiwei Zhang , David R. Reichman , Richard A. Friesner

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)…

计算物理 · 物理学 2011-04-08 Peter H. Colberg , Felix Höfling

Monte Carlo methods are critical to many routines in quantitative finance such as derivatives pricing, hedging and risk metrics. Unfortunately, Monte Carlo methods are very computationally expensive when it comes to running simulations in…

分布式、并行与集群计算 · 计算机科学 2020-01-29 Francois Belletti , Davis King , Kun Yang , Roland Nelet , Yusef Shafi , Yi-Fan Chen , John Anderson

The vision of super computer at every desk can be realized by powerful and highly parallel CPUs or GPUs or APUs. Graphics processors once specialized for the graphics applications only, are now used for the highly computational intensive…

分布式、并行与集群计算 · 计算机科学 2012-04-16 Chittampally Vasanth Raja , Srinivas Balasubramanian , Prakash S Raghavendra

The goal of this work is to parallelize the multistep scheme for the numerical approximation of the backward stochastic differential equations (BSDEs) in order to achieve both, a high accuracy and a reduction of the computation time as…

分布式、并行与集群计算 · 计算机科学 2024-04-18 Lorenc Kapllani , Long Teng

We propose a new hybrid topology optimization algorithm based on multigrid approach that combines the parallelization strategy of CPU using OpenMP and heavily multithreading capabilities of modern Graphics Processing Units (GPU). In…

分布式、并行与集群计算 · 计算机科学 2022-02-01 Arya Prakash Padhi , Souvik Chakraborty , Anupam Chakrabarti , Rajib Chowdhury

Bayesian spectral deconvolution provides a data-driven framework for mathematical model selection and parameter estimation from spectral data. Although highly versatile, it becomes computationally expensive as the number of model…

统计计算 · 统计学 2026-04-07 Tomohiro Nabika , Yui Hayashi , Masato Okada

Numerical solution of reaction-diffusion equations in three dimensions is one of the most challenging applied mathematical problems. Since these simulations are very time consuming, any ideas and strategies aiming at the reduction of CPU…

计算物理 · 物理学 2011-08-17 Ferenc Molnar , Ferenc Izsak , Robert Meszaros , Istvan Lagzi

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…

计算物理 · 物理学 2018-11-07 Gourav Shrivastav , Manish Agarwal

We implement a quantum optimal control algorithm based on automatic differentiation and harness the acceleration afforded by graphics processing units (GPUs). Automatic differentiation allows us to specify advanced optimization criteria and…

量子物理 · 物理学 2017-04-19 Nelson Leung , Mohamed Abdelhafez , Jens Koch , David I. Schuster

Monte Carlo simulations of the Ising model play an important role in the field of computational statistical physics, and they have revealed many properties of the model over the past few decades. However, the effect of frustration due to…

无序系统与神经网络 · 物理学 2017-01-04 Ye Fang , Sheng Feng , Ka-Ming Tam , Zhifeng Yun , Juana Moreno , J. Ramanujam , Mark Jarrell

Over the past five years, graphics processing units (GPUs) have had a transformational effect on numerical lattice quantum chromodynamics (LQCD) calculations in nuclear and particle physics. While GPUs have been applied with great success…

高能物理 - 格点 · 物理学 2016-11-15 R. Babich , M. A. Clark , B. Joó , G. Shi , R. C. Brower , S. Gottlieb

While Model Predictive Control (MPC) delivers strong performance across robotics applications, solving the underlying (batches of) nonlinear trajectory optimization (TO) problems online remains computationally demanding. Existing…

机器人学 · 计算机科学 2026-05-11 Alexander Du , Emre Adabag , Gabriel Bravo-Palacios , Brian Plancher

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…

材料科学 · 物理学 2011-03-08 Christian R. Trott , Lars Winterfeld , Paul S. Crozier

We present a new adaptive parallel algorithm for the challenging problem of multi-dimensional numerical integration on massively parallel architectures. Adaptive algorithms have demonstrated the best performance, but efficient many-core…

分布式、并行与集群计算 · 计算机科学 2021-06-24 Ioannis Sakiotis , Kamesh Arumugam , Marc Paterno , Desh Ranjan , Balša Terzić , Mohammad Zubair

This paper presents a heuristic for finding the optimum number of CUDA streams by using tools common to the modern AI-oriented approaches and applied to the parallel partition algorithm. A time complexity model for the GPU realization of…

分布式、并行与集群计算 · 计算机科学 2026-05-22 Milena Veneva , Toshiyuki Imamura

The Poisson-Fermi model is an extension of the classical Poisson-Boltzmann model to include the steric and correlation effects of ions and water treated as nonuniform spheres in aqueous solutions. Poisson-Boltzmann electrostatic…

计算物理 · 物理学 2018-07-04 Jen-Hao Chen , Ren-Chuen Chen , Jinn-Liang Liu

The main objective of this work consists in analyzing sub-structuring method for the parallel solution of sparse linear systems with matrices arising from the discretization of partial differential equations such as finite element, finite…

数值分析 · 数学 2021-08-31 Abal-Kassim Cheik Ahamed , Frédéric Magoulès

In this paper, we design a novel algorithm based on Least-Squares Monte Carlo (LSMC) in order to approximate the solution of discrete time Backward Stochastic Differential Equations (BSDEs). Our algorithm allows massive parallelization of…

数值分析 · 数学 2024-08-01 E. Gobet , J. G. López-Salas , P. Turkedjiev , C. Vázquez

In this proceedings we demonstrate how to implement and construct the PineAPPL grids, designed for fast-interpolation of Monte Carlo simulation with electroweak and QCD corrections, using the VegasFlow framework for Monte Carlo simulation…

高能物理 - 唯象学 · 物理学 2020-09-25 Stefano Carrazza , Juan M. Cruz-Martinez , Christopher Schwan