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We introduce a general-purpose framework for interconnecting scientific simulation programs using a homogeneous, unified software interface. Our framework is intrinsically parallel, and conveniently separates all components in memory. It…

Astrophysics of Galaxies · Physics 2011-10-14 Simon Portegies Zwart , Stephen McMillan , Inti Pelupessy , Arjen van Elteren

Many interesting phenomena are characterized by the complex interaction of different physical processes, each often best modeled numerically via a specific approach. In this paper, we present the design and implementation of an…

Mathematical Software · Computer Science 2025-10-20 Juan Michael Sargado

To harness the potential of advanced computing technologies, efficient (real time) analysis of large amounts of data is as essential as are front-line simulations. In order to optimise this process, experts need to be supported by…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-03 Jovana Knežević , Ralf-Peter Mundani , Ernst Rank

Simulations with high accuracy are an essential part of scientific research to accelerate the innovation process. They are especially useful for finding novel approaches or optimizing existing methods. Today, powerful software tools are…

Medical Physics · Physics 2022-08-31 Patrick Vogel , Martin A. Rückert , Thomas Kampf , Volker C. Behr

In this article, a new generic higher-order finite-element framework for massively parallel simulations is presented. The modular software architecture is carefully designed to exploit the resources of modern and future supercomputers.…

Mathematical Software · Computer Science 2018-05-28 Nils Kohl , Dominik Thönnes , Daniel Drzisga , Dominik Bartuschat , Ulrich Rüde

An integrated computational framework is introduced to study complex engineering systems through physics-based ensemble simulations on heterogeneous supercomputers. The framework is primarily designed for the quantitative assessment of…

Computational Engineering, Finance, and Science · Computer Science 2022-02-08 Kazuki Maeda , Thiago Teixeira , Jonathan M. Wang , Jeffrey M. Hokanson , Caetano Melone , Mario Di Renzo , Steve Jones , Javier Urzay , Gianluca Iaccarino

Scaling up hardware systems has become an important tactic for improving performance as Moore's law fades. Unfortunately, simulations of large hardware systems are often a design bottleneck due to slow throughput and long build times. In…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-07-31 Steven Herbst , Noah Moroze , Edgar Iglesias , Andreas Olofsson

Writing efficient hybrid parallel code is tedious, error-prone, and requires good knowledge of both parallel programming and multithreading such as MPI and OpenMP, resp. Therefore, we present a framework which is based on a job model that…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-07-03 Ralf-Peter Mundani , Marko Ljucović , Ernst Rank

Simulating physical systems is a core component of scientific computing, encompassing a wide range of physical domains and applications. Recently, there has been a surge in data-driven methods to complement traditional numerical simulations…

Machine Learning · Computer Science 2021-08-19 Karl Otness , Arvi Gjoka , Joan Bruna , Daniele Panozzo , Benjamin Peherstorfer , Teseo Schneider , Denis Zorin

Scalable and efficient numerical simulations continue to gain importance, as computation is firmly established as the third pillar of discovery, alongside theory and experiment. Meanwhile, the performance of computing hardware grows through…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-06-26 Pietro Incardona , Antonio Leo , Yaroslav Zaluzhnyi , Rajesh Ramaswamy , Ivo F. Sbalzarini

Harnessing modern parallel computing resources to achieve complex multi-physics simulations is a daunting task. The Multiphysics Object Oriented Simulation Environment (MOOSE) aims to enable such development by providing simplified…

Complex systems are often decomposed into modular subsystems for engineering tractability. Although various equation based white-box modeling techniques make use of such structure, learning based methods have yet to incorporate these ideas…

Machine Learning · Computer Science 2022-10-31 Jayesh K. Gupta , Sai Vemprala , Ashish Kapoor

Scientific applications are starting to explore the viability of quantum computing. This exploration typically begins with quantum simulations that can run on existing classical platforms, albeit without the performance advantages of real…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-08-16 Amir Shehata , Thomas Naughton , In-Saeng Suh

MiMiC is a framework for performing multiscale simulations in which loosely coupled external programs describe individual subsystems at different resolutions and levels of theory. To make it highly efficient and flexible, we adopt an…

Programming current supercomputers efficiently is a challenging task. Multiple levels of parallelism on the core, on the compute node, and between nodes need to be exploited to make full use of the system. Heterogeneous hardware…

Concurrently coupled numerical simulations using heterogeneous solvers are powerful tools for modeling multiscale phenomena. However, major modifications to existing codes are often required to enable such simulations, posing significant…

Computational Physics · Physics 2015-05-18 Yu-Hang Tang , Shuhei Kudo , Xin Bian , Zhen Li , George E. Karniadakis

Accurate representation of interfaces and flux exchange is vital for coupled multiphysics simulations across a broad range of applications. Currently, coupling approaches are limited by the underlying discretization or to specific physical…

Fluid Dynamics · Physics 2026-03-10 Ethan Huff , Savio J. Poovathingal

We present a technique designed for parallelizing large rigid body simulations, capable of exploiting multiple CPU cores within a computer and across a network. Our approach can be applied to simulate both unilateral and bilateral…

Graphics · Computer Science 2024-03-27 Manas Kale , Paul G. Kry

A large number of powerful, high-quality, and open-source simulation packages exist to efficiently perform molecular dynamics simulations, and their prevalence has greatly accelerated discoveries across a wide range of scientific domains.…

Soft Condensed Matter · Physics 2024-05-01 Toler H. Webb , Daniel M. Sussman

Quantum simulation is a promising near term application for mesoscale quantum information processors, with the potential to solve computationally intractable problems at the scale of just a few dozen interacting quantum systems. Recent…

Quantum Physics · Physics 2014-08-14 David L. Hayes , Steven T. Flammia , Michael J. Biercuk
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