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Tensor network algorithms can efficiently simulate complex quantum many-body systems by utilizing knowledge of their structure and entanglement. These methodologies have been adapted recently for solving the Navier-Stokes equations, which…

Efficient hybrid DFT simulations of solid state materials would be extremely beneficial for computational chemistry and materials science, but is presently bottlenecked by difficulties in computing Hartree-Fock (HF) exchange with plane wave…

Chemical Physics · Physics 2024-10-30 Yuanheng Wang , Diptarka Hait , Pablo A. Unzueta , Juncheng Harry Zhang , Todd J. Martínez

This paper presents a 6-DoF range-based Monte Carlo localization method with a GPU-accelerated Stein particle filter. To update a massive amount of particles, we propose a Gauss-Newton-based Stein variational gradient descent (SVGD) with…

Robotics · Computer Science 2024-04-26 Kenji Koide , Shuji Oishi , Masashi Yokozuka , Atsuhiko Banno

The Kernel Polynomial Method (KPM) is one of the fast diagonalization methods used for simulations of quantum systems in research fields of condensed matter physics and chemistry. The algorithm has a difficulty to be parallelized on a…

Computational Physics · Physics 2011-05-30 Shixun Zhang , Shinichi Yamagiwa , Masahiko Okumura , Seiji Yunoki

Mesoscopic simulations of hydrocarbon flow in source shales are challenging, in part due to the heterogeneous shale pores with sizes ranging from a few nanometers to a few micrometers. Additionally, the sub-continuum fluid-fluid and…

Computational Physics · Physics 2019-09-13 Yidong Xia , Ansel Blumers , Zhen Li , Lixiang Luo , Yu-Hang Tang , Joshua Kane , Hai Huang , Matthew Andrew , Milind Deo , Jan Goral

Hydrodynamics calculations have been successfully used in studies of the bulk properties of the Quark-Gluon Plasma, particularly of elliptic flow and shear viscosity. However, there are areas (for instance event-by-event simulations for…

We present the basic idea, implementation, measured performance and performance model of FDPS (Framework for developing particle simulators). FDPS is an application-development framework which helps the researchers to develop particle-based…

Instrumentation and Methods for Astrophysics · Physics 2016-06-15 Masaki Iwasawa , Ataru Tanikawa , Natsuki Hosono , Keigo Nitadori , Takayuki Muranushi , Junichiro Makino

We provide a mathematically proven parallelization scheme for particle methods on distributed-memory computer systems. Particle methods are a versatile and widely used class of algorithms for computer simulations and numerical predictions…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-05 Johannes Pahlke , Ivo F. Sbalzarini

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-24 Ioannis Sakiotis , Kamesh Arumugam , Marc Paterno , Desh Ranjan , Balša Terzić , Mohammad Zubair

We introduce the cosmological HYPER code based on an innovative hydro-particle-mesh (HPM) algorithm for efficient and rapid simulations of gas and dark matter. For the HPM algorithm, we update the approach of Gnedin & Hui (1998) to expand…

Cosmology and Nongalactic Astrophysics · Physics 2022-02-09 Yizhou He , Hy Trac , Nickolay Y. Gnedin

We describe Pegasus, a new hybrid-kinetic particle-in-cell code tailored for the study of astrophysical plasma dynamics. The code incorporates an energy-conserving particle integrator into a stable, second-order--accurate, three-stage…

High Energy Astrophysical Phenomena · Physics 2015-06-17 Matthew W. Kunz , James M. Stone , Xue-Ning Bai

Metaheuristic algorithms are powerful tools for global optimization, particularly for non-convex and non-differentiable problems where exact methods are often impractical. Particle-based optimization methods, inspired by swarm intelligence…

Optimization and Control · Mathematics 2026-03-23 Giacomo Borghi , Hyesung Im , Lorenzo Pareschi

A novel parallelization paradigm has been developed for multi-GPU architectures. Classical multi-GPU parallelization for SPH rely on domain decomposition. In our approach each particle can be assigned to a GPU independently of its position…

Computational Physics · Physics 2023-10-06 Thomas Unfer , Anthony Collé , Jérôme Limido

We have developed a parallel Particle-Particle, Particle-Mesh (P3M) simulation code for the Cray T3E parallel supercomputer that is well suited to studying the time evolution of systems of particles interacting via gravity and gas forces in…

Astrophysics · Physics 2009-10-30 Tom MacFarland , H. M. P. Couchman , F. R. Pearce , Jakob Pichlmeier

Machine learning algorithms are becoming increasingly prevalent and performant in the reconstruction of events in accelerator-based neutrino experiments. These sophisticated algorithms can be computationally expensive. At the same time, the…

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

Splotch is a rendering algorithm for exploration and visual discovery in particle-based datasets coming from astronomical observations or numerical simulations. The strengths of the approach are production of high quality imagery and…

Instrumentation and Methods for Astrophysics · Physics 2016-09-23 Marzia Rivi , Claudio Gheller , Tim Dykes , Mel Krokos , Klaus Dolag

Researchers in biology are faced with the tough challenge of developing high-performance computer simulations of their increasingly complex agent-based models. BioDynaMo is an open-source agent-based simulation platform that aims to…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-29 Ahmad Hesam , Lukas Breitwieser , Fons Rademakers , Zaid Al-Ars

This paper presents a GPU-accelerated framework for solving block tridiagonal linear systems that arise naturally in numerous real-time applications across engineering and scientific computing. Through a multi-stage permutation strategy…

Optimization and Control · Mathematics 2026-01-08 Roland Schwan , Daniel Kuhn , Colin N. Jones

Classical molecular dynamics (MD) simulations are important tools in life and material sciences since they allow studying chemical and biological processes in detail. However, the inherent scalability problem of particle-particle…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-08-14 Michael Schaffner , Luca Benini
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