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We outline how auxiliary-field quantum Monte Carlo (AFQMC) can leverage graphical processing units (GPUs) to accelerate the simulation of solid state sytems. By exploiting conservation of crystal momentum in the one- and two-electron…

Computational Physics · Physics 2020-08-21 Fionn D. Malone , Shuai Zhang , Miguel A. Morales

In this paper, we describe the algorithms we implemented in FDPS to make efficient use of accelerator hardware such as GPGPUs. We have developed FDPS to make it possible for many researchers to develop their own high-performance parallel…

Instrumentation and Methods for Astrophysics · Physics 2020-02-12 Masaki Iwasawa , Daisuke Namekata , Keigo Nitadori , Kentaro Nomura , Long Wang , Miyuki Tsubouchi , Junichiro Makino

Searching for sources of electromagnetic emission in spectral-line radio astronomy interferometric data is a computationally intensive process. Parallel programming techniques and High Performance Computing hardware may be used to improve…

Instrumentation and Methods for Astrophysics · Physics 2015-07-20 Stefan Westerlund , Christopher Harris

The subjects and key questions faced by computational astrophysics using N-body simulations are discussed in the fields of globular star cluster dynamics, galactic nuclei and cosmological structure formation. After a comparison of the…

Astrophysics · Physics 2007-05-23 Rainer Spurzem

Graphics Processing Units (GPUs) are becoming popular accelerators in modern High-Performance Computing (HPC) clusters. Installing GPUs on each node of the cluster is not efficient resulting in high costs and power consumption as well as…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-06-15 Javier Prades , Blesson Varghese , Carlos Reano , Federico Silla

Graphics processing units (GPUs) are recently being used to an increasing degree for general computational purposes. This development is motivated by their theoretical peak performance, which significantly exceeds that of broadly available…

Computational Physics · Physics 2015-03-17 Martin Weigel

The problem of solving a system of polynomial equations is one of the most fundamental problems in applied mathematics. Among them, the problem of solving a system of binomial equations form a important subclass for which specialized…

Algebraic Geometry · Mathematics 2015-03-03 Tianran Chen , Dhagash Mehta

Graphics Processing Unit (GPU) computing is becoming an alternate computing platform for numerical simulations. However, it is not clear which numerical scheme will provide the highest computational efficiency for different types of…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-07 Ben J. Zimmerman , Jonathan D. Regele , Bong Wie

Particle-in-cell (PIC) simulations with Monte-Carlo collisions are used in plasma science to explore a variety of kinetic effects. One major problem is the long run-time of such simulations. Even on modern computer systems, PIC codes take a…

This work deals with the optimization of computer programs targeting Graphics Processing Units (GPUs). The goal is to lift, from programmers to optimizing compilers, the heavy burden of determining program details that are dependent on the…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-01-16 Xiaohui Chen , Marc Moreno-Maza , Jeeva Paudel , Ning Xie

Radiation Treatment Planning (RTP) is the process of planning the appropriate external beam radiotherapy to combat cancer in human patients. RTP is a complex and compute-intensive task, which often takes a long time (several hours) to…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-09-21 Felix Liu , Niclas Jansson , Artur Podobas , Albin Fredriksson , Stefano Markidis

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…

Quantum Physics · Physics 2017-04-19 Nelson Leung , Mohamed Abdelhafez , Jens Koch , David I. Schuster

Graphics Processing Units (GPUs) are specialized accelerators in data centers and high-performance computing (HPC) systems, enabling the fast execution of compute-intensive applications, such as Convolutional Neural Networks (CNNs).…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-11-10 Giuseppe Esposito , Juan-David Guerrero-Balaguera , Josie Esteban Rodriguez Condia , Matteo Sonza Reorda , Marco Barbiero , Rossella Fortuna

Monte Carlo (MC) simulation is commonly considered to be the most accurate dose calculation method in radiotherapy. However, its efficiency still requires improvement for many routine clinical applications. In this paper, we present our…

Medical Physics · Physics 2015-05-28 Xun Jia , Xuejun Gu , Yan Jiang Graves , Michael Folkerts , Steve B. Jiang

The integration of the equations of motion of N interacting particles, represents a classical problem in many branches of physics and chemistry. The direct N-body problem is at the heart of simulations studying Coulomb Crystals. We present…

Computational Physics · Physics 2021-06-22 Jofre Pedregosa-Gutierrez , Jim Dempsey

We present Particle-Particle-Particle-Mesh (PPPM) and Tree Particle-Mesh (TreePM) implementations on GRAPE-5 and GRAPE-6A systems, special-purpose hardware accelerators for gravitational many-body simulations. In our PPPM and TreePM…

Astrophysics · Physics 2015-06-24 Kohji Yoshikawa , Toshiyuki Fukushige

This paper presents a fast, economical particle-multiple-mesh N-body code optimized for large-N modelling of collisionless dynamical processes, such as black-hole wandering or bar-halo interactions, occurring within isolated galaxies. The…

Astrophysics · Physics 2007-11-07 John Magorrian

Cosmological large scale structure $N$-body simulations are computation-light, memory-heavy problems in supercomputing. The considerable amount of memory is usually dominated by an inefficient way of storing more than sufficient phase space…

Cosmology and Nongalactic Astrophysics · Physics 2018-07-31 Hao-Ran Yu , Ue-Li Pen , Xin Wang

We present a Fortran 95 code for simulating the evolution of astrophysical systems using particles to represent the underlying fluid flow. The code is designed to be versatile, flexible and extensible, with modular options that can be…

Astrophysics · Physics 2009-10-02 M. Wetzstein , Andrew F. Nelson , T. Naab , A. Burkert

In atomistic spin dynamics simulations, the time cost of constructing the space- and time-displaced pair correlation function in real space increases quadratically as the number of spins $N$, leading to significant computational effort. The…

Computational Physics · Physics 2023-08-16 Hongwei Chen , Shiyang Chen , Joshua J. Turner , Adrian Feiguin