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Present day computational fluid dynamics simulations generate extremely large amounts of data, sometimes on the order of TB/s. Often, a significant fraction of this data is discarded because current storage systems are unable to keep pace.…

Computational Engineering, Finance, and Science · Computer Science 2021-03-03 Heather Pacella , Alec Dunton , Alireza Doostan , Gianluca Iaccarino

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

The paper deals with the developing of the methodological backgrounds for the modeling and simulation of complex dynamical objects. Such backgrounds allow us to perform coordinate transformation and formulate the algorithm of its usage for…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-08-07 Roman Voliansky , Andri Pranolo

The objective of this article is to report the parallel implementation of the 3D molecular dynamic simulation code for laser-cluster interactions. The benchmarking of the code has been done by comparing the simulation results with some of…

Computational Physics · Physics 2015-06-16 Amol R. Holkundkar

Molecular dynamics facilitates the simulation of a complex system to be analyzed at molecular and atomic levels. Simulations can last a long period of time, even months. Due to this cause the graphics processing units (GPUs) and multi-core…

Computational Physics · Physics 2021-02-02 Iuliana Marin , Nicolae Goga , Maria Goga

Molecular dynamics (MD)-based path sampling algorithms are a very important class of methods used to study the energetics and kinetics of rare (bio)molecular events. They sample the highly informative but highly unlikely reactive…

Computational Physics · Physics 2025-07-08 Nitin Malapally , Marta Devodier , Giulia Rossetti , Paolo Carloni , Davide Mandelli

Although event-driven algorithms have been shown to be far more efficient than time-driven methods such as conventional molecular dynamics, they have not become as popular. The main obstacle seems to be the difficulty of parallelizing…

Computational Physics · Physics 2015-06-26 S. Miller , S. Luding

This article presents the methods used to parallelize a new computer vision application. The system is able to automatically detect meteor from non-stabilized cameras and noisy video sequences. The application is designed to be embedded in…

Computer Vision and Pattern Recognition · Computer Science 2023-07-21 Mathuran Kandeepan , Clara Ciocan , Adrien Cassagne , Lionel Lacassagne

Efficient matching of incoming events of data streams to persistent queries is fundamental to event stream processing systems. These applications require dealing with high volume and continuous data streams with fast processing time on…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-06-05 Fuyuan Xiao , Masayoshi Aritsugi

The error propagation and statistical-noise reduction method of Reid and Trainor for two-point correlation applications in high-energy collisions is extended to include particle-pair references constructed by mixing two particles from all…

Nuclear Experiment · Physics 2016-07-04 R. L. Ray , P. Bhattarai

We develop a novel parallel resampling algorithm for fully parallelized particle filters, which is designed with GPUs (graphics processing units) or similar parallel computing devices in mind. With our new algorithm, a full cycle of…

Computation · Statistics 2016-08-17 Kenichiro McAlinn , Teruo Nakatsuma

The matrix element method utilizes ab initio calculations of probability densities as powerful discriminants for processes of interest in experimental particle physics. The method has already been used successfully at previous and current…

Computational Physics · Physics 2015-05-20 Doug Schouten , Adam DeAbreu , Bernd Stelzer

The crucial role that Ions Energy Distribution Function (IEDF) at the electrodes plays in plasma processing of semiconductor materials demands that this quantity be predicted with high accuracy and with low noise levels in any plasma…

Plasma Physics · Physics 2007-05-23 M. Ardehali

We present GridFF, an efficient method for simulating molecules on rigid substrates, derived from techniques used in protein-ligand docking in biochemistry. By projecting molecule-substrate interactions onto precomputed spatial grids with…

Chemical Physics · Physics 2025-08-22 Indranil Mal , Milan Kočí , Paolo Nicolini , Prokop Hapala

Online and Real-time Object Tracking is an interesting workload that can be used to track objects (e.g., car, human, animal) in a series of video sequences in real-time. For simple object tracking on edge devices, the output of object…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-03-24 Jesmin Jahan Tithi , Sriram Aananthakrishnan , Fabrizio Petrini

We describe a fast parallel iterative method for computing molecular absorption spectra within TDDFT linear response and using the LCAO method. We use a local basis of "dominant products" to parametrize the space of orbital products that…

Other Condensed Matter · Physics 2011-04-19 Peter Koval , Dietrich Foerster , Olivier Coulaud

Population annealing is a powerful tool for large-scale Monte Carlo simulations. We adapt this method to molecular dynamics simulations and demonstrate its excellent accelerating effect by simulating the folding of a short peptide commonly…

Computational Physics · Physics 2019-02-27 Henrik Christiansen , Martin Weigel , Wolfhard Janke

Ion-trapped Quantum Charge-Coupled Device (QCCD) architectures have emerged as a promising alternative to scale single-trap devices by interconnecting multiple traps through ion shuttling, enabling the execution of parallel operations…

Quantum Physics · Physics 2025-02-07 Anabel Ovide , Carmen G. Almudever

This paper addresses the problem of parallelizing computations to study non-linear dynamics in large networks of non-locally coupled oscillators using heterogeneous computing resources. The proposed approach can be applied to a variety of…

Chaotic Dynamics · Physics 2025-07-04 Oleksandr Sudakov , Volodymyr Maistrenko

This paper introduces a parallel-in-time algorithm for efficient steady-state solution of the eddy current problem. Its main idea is based on the application of the well-known multi-harmonic (or harmonic balance) approach as the coarse…

Computational Engineering, Finance, and Science · Computer Science 2019-11-07 Iryna Kulchytska-Ruchka , Herbert De Gersem , Sebastian Schöps