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This article introduces a highly parallel algorithm for molecular dynamics simulations with short-range forces on single node multi- and many-core systems. The algorithm is designed to achieve high parallel speedups for strongly…

Computational Physics · Physics 2013-11-20 R. Meyer

Simulation has become the evaluation method of choice for many areas of distributing computing research. However, most existing simulation packages have several limitations on the size and complexity of the system being modeled. Fine…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-07-01 Dobre Ciprian , Cristea Valentin , Iosif C. Legrand

Quantum computing is an emerging technology, promising a paradigm shift in computing, and allowing for speedups in many different problems. However, quantum devices are still in their early stages, most with only a small number qubits. This…

Quantum Physics · Physics 2018-11-09 Adam Kelly

Simulating quantum circuits (QC) on high-performance computing (HPC) systems has become an essential method to benchmark algorithms and probe the potential of large-scale quantum computation despite the limitations of current quantum…

In this paper is proposed a technique to integrate and simulate a dynamic memory in a multiprocessor framework based on C/C++/SystemC. Using host machine's memory management capabilities, dynamic data processing is supported without…

Hardware Architecture · Computer Science 2011-11-09 O. Villa , P. Schaumont , I. Verbauwhede , M. Monchiero , G. Palermo

Realistic simulations of detailed, biophysics-based, multi-scale models require very high resolution and, thus, large-scale compute facilities. Existing simulation environments, especially for biomedical applications, are designed to allow…

Computational Engineering, Finance, and Science · Computer Science 2018-02-12 Chris Bradley , Nehzat Emamy , Thomas Ertl , Dominik Göddeke , Andreas Hessenthaler , Thomas Klotz , Aaron Krämer , Michael Krone , Benjamin Maier , Miriam Mehl , Tobias Rau , Oliver Röhrle

Sparse linear system solvers are computationally expensive kernels that lie at the heart of numerous applications. This paper proposes a flexible preconditioning framework to substantially reduce the time and energy requirements of this…

Emerging Technologies · Computer Science 2021-07-16 Vasileios Kalantzis , Anshul Gupta , Lior Horesh , Tomasz Nowicki , Mark S. Squillante , Chai Wah Wu

Large-scale distributed computing infrastructures such as the Worldwide LHC Computing Grid (WLCG) require comprehensive simulation tools for evaluating performance, testing new algorithms, and optimizing resource allocation strategies.…

Large number of cores and hardware resource sharing are two characteristics on multicore processors, which bring new challenges for the design of operating systems. How to locate and analyze the speedup restrictive factors in operating…

Operating Systems · Computer Science 2015-12-23 Yan Cui

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

PCIe-connected FPGAs are gaining popularity as an accelerator technology in data centers. However, it is challenging to jointly develop and debug host software and FPGA hardware. Changes to the hardware design require a time-consuming FPGA…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-01-28 Shenghsun Cho , Mrunal Patel , Basavaraj Kaladagi , Han Chen , Tapti Palit , Michael Ferdman , Peter Milder

In this paper we deal with the impact of multi and many-core processor architectures on simulation. Despite the fact that modern CPUs have an increasingly large number of cores, most softwares are still unable to take advantage of them. In…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-07-30 Gabriele D'Angelo , Stefano Ferretti , Moreno Marzolla

Development of fast methods to conduct in silico experiments using computational models of cellular signaling is a promising approach toward advances in personalized medicine. However, software-based cellular network simulation has…

Molecular Networks · Quantitative Biology 2018-11-20 Kevin Gilboy , Khaled Sayed , Niteesh Sundaram , Kara Bocan , Natasa Miskov-Zivanov

This short paper describes early experiments to validate the capabilities of a component-based platform to observe and control a software architecture in the small. This is part of a whole process for resilient computing, i.e. targeting the…

Software Engineering · Computer Science 2012-04-06 Miruna Stoicescu , Jean-Charles Fabre , Matthieu Roy

Here, we present the concept of an open virtual prototyping framework for maritime systems and operations that enables its users to develop re-usable component or subsystem models, and combine them in full-system simulations for…

Computational Engineering, Finance, and Science · Computer Science 2017-01-05 Severin Sadjina , Lars T. Kyllingstad , Martin Rindarøy , Stian Skjong , Vilmar Æsøy , Dariusz Eirik Fathi , Vahid Hassani , Trond Johnsen , Jørgen Bremnes Nielsen , Eilif Pedersen

Accurate performance estimation of future many-node machines is challenging because it requires detailed simulation models of both node and network. However, simulating the full system in detail is unfeasible in terms of compute and memory…

Performance · Computer Science 2024-01-19 Stijn Eyerman , Wim Heirman , Kristof Du Bois , Ibrahim Hur

Classical simulators play a major role in the development and benchmark of quantum algorithms and practically any software framework for quantum computation provides the option of running the algorithms on simulators. However, the…

Quantum Physics · Physics 2022-05-04 Gian Giacomo Guerreschi

Co-simulation offers an integrated approach for modeling the large-scale integration of inverter-based resources (IBRs) into transmission and distribution grids. This paper presents a scalable communication interface design and…

Systems and Control · Electrical Eng. & Systems 2025-02-13 Qi Xiao , Jongha Woo , Lidong Song , Ning Lu , Victor Paduani

Quantum processing unit (QPU) has to satisfy highly demanding quantity and quality requirements on its qubits to produce accurate results for problems at useful scales. Furthermore, classical simulations of quantum circuits generally do not…

Emerging Technologies · Computer Science 2022-07-05 Wei Tang , Margaret Martonosi

Mainstream Transformer-based large language models face major efficiency bottlenecks: training computation scales quadratically with sequence length, and inference memory grows linearly, limiting long-context processing. Building large…

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