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The Random Phase Approximation (RPA) for correlation energy in the grid-based projector augmented wave (gpaw) code is accelerated by porting to the Graphics Processing Unit (GPU) architecture. The acceleration is achieved by grouping…

Computational Physics · Physics 2013-07-31 Jun Yan , Lin Li , Christopher O'Grady

Graphics Processing Units are high performance co-processors originally intended to improve the use and the acceleration of computer graphics applications. Because of their performance, researchers have extended their use beyond the…

Instrumentation and Detectors · Physics 2015-03-10 Bachir Bouhadef , Mauro Morganti , Giuseppe Terreni

We present a hydrodynamic simulation system using the GPU compute shaders of DirectX for simulating virtual agent behaviors and navigation inside a smoothed particle hydrodynamical (SPH) fluid environment with real-time water mesh surface…

Computational Physics · Physics 2023-12-22 Xi Liu , Gizem Kayar , Ken Perlin

Active galactic nuclei, x-ray binaries, pulsars, and gamma-ray bursts are all believed to be powered by compact objects surrounded by relativistic plasma flows driving phenomena such as accretion, winds, and jets. These flows are often…

Astrophysics · Physics 2009-06-23 Alexander Tchekhovskoy , Jonathan C. McKinney , Ramesh Narayan

Simulating fluid-granular flows is crucial for understanding natural disasters, industrial processes, and visually realistic phenomena in computer graphics. These systems are challenging to simulate because of the strong nonlinear coupling…

Graphics · Computer Science 2026-03-17 Xingqiao Li , Kui Wu , Haozhe Su , Tianhong Gao , Mengyu Chu , Chenfanfu Jiang , Wei Li , Baoquan Chen

Exascale High Performance Computing (HPC) represents a tremendous opportunity to push the boundaries of Computational Fluid Dynamics (CFD), but despite the consolidated trend towards the use of Graphics Processing Units (GPUs),…

Efficient methods for generating samples of wave packet trajectories are needed to build machine learning models for quantum dynamics. However, simulating such data by direct integration of the time-dependent Schrodinger equation can be…

Materials Science · Physics 2024-01-17 Rei Nagaya , Haruki Omatsu , Daniel M. Packwood

One of the challenges encountered by computational simulations at exascale is the reliability of simulations in the face of hardware and software faults. These faults, expected to increase with the complexity of the computational systems,…

Fluid Dynamics · Physics 2019-02-19 Marc T. Henry de Frahan , Ray W. Grout

We present the results from a two-day study in which we discussed various implementations of Smooth Particle Hydrodynamics (SPH), one of the leading methods used across a variety of areas of large-scale astrophysical simulations. In…

Astrophysics · Physics 2007-05-23 Piet Hut , Lars Hernquist , George Lake , Jun Makino , Steve McMillan , Thomas Sterling

The design of microfluidic devices is a cumbersome and tedious process that can be significantly improved by simulation. Methods based on Computational Fluid Dynamics (CFD) are considered state-of-the-art, but require extensive compute time…

Computational Engineering, Finance, and Science · Computer Science 2024-01-17 Michel Takken , Robert Wille

High fidelity Computational Fluid Dynamics simulations are generally associated with large computing requirements, which are progressively acute with each new generation of supercomputers. However, significant research efforts are required…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-07 R. Borrell , D. Dosimont , M. Garcia-Gasulla , G. Houzeaux , O. Lehmkuhl , V. Mehta , H. Owen , M. Vazquez , G. Oyarzun

We present a new approach to doing Eulerian computational fluid dynamics that is designed to work at high Mach numbers encountered in hydrodynamical simulations of the IGM. In conventional Eulerian CFD, the thermal energy is poorly tracked…

Astrophysics · Physics 2016-01-27 Hy Trac , Pengjie Zhang , Ue-Li Pen

Thanks to the computational power of modern cluster machines, numerical simulations can provide, with an unprecedented level of details, new insights into fluid mechanics. However, taking full advantage of this hardware remains challenging…

Fluid Dynamics · Physics 2022-09-14 F. Brogi , S. Bnà , G. Boga , G. Amati , T. Esposti Ongaro , M. Cerminara

Evolution of quark-gluon plasma (QGP) near equilibrium can be described by the second-order relativistic viscous hydrodynamic equations. Consistent and analytically verifiable numerical solutions are critical for phenomenological studies of…

High Energy Physics - Phenomenology · Physics 2015-05-06 Long-Gang Pang , Yoshitaka Hatta , Xin-Nian Wang , Bo-Wen Xiao

Simulating water droplets made up of millions of molecules and on timescales as needed in biological and technological applications is challenging due to the difficulty of balancing accuracy with computational capabilities. Most detailed…

Statistical Mechanics · Physics 2025-05-12 Luis Enrique Coronas , Oriol Vilanova , Giancarlo Franzese

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

For quantum computing (QC) to emerge as a practically indispensable computational tool, there is a need for quantum protocols with an end-to-end practical applications -- in this instance, fluid dynamics. We debut here a high performance…

Quantum Physics · Physics 2023-12-05 Sachin S. Bharadwaj , Katepalli R. Sreenivasan

Kinetic plasma simulations solve the Vlasov-Poisson or Vlasov-Maxwell equations to evolve scalar-variable distribution functions in position-velocity phase space and vector-variable electromagnetic fields in physical space. The…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-17 Andrew Ho , Genia Vogman

Design considerations for molecular dynamics algorithms capable of taking advantage of the computational power of a graphics processing unit (GPU) are described. Accommodating the constraints of scalable streaming-multiprocessor hardware…

Computational Physics · Physics 2011-01-27 D. C. Rapaport

We present our approach to making direct numerical simulations of turbulence with applications in sustainable shipping. We use modern Fortran and the spectral element method to leverage and scale on supercomputers powered by the Nvidia A100…

Mathematical Software · Computer Science 2022-07-15 Martin Karp , Daniele Massaro , Niclas Jansson , Alistair Hart , Jacob Wahlgren , Philipp Schlatter , Stefano Markidis