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Exact diagonalization is a well-established method for simulating small quantum systems. Its applicability is limited by the exponential growth of the so-called Hamiltonian matrix that needs to be diagonalized. Physical symmetries are…

Computational Physics · Physics 2023-09-01 Tom Westerhout , Bradford L. Chamberlain

Stochastic, spatial reaction-diffusion simulations have been widely used in systems biology and computational neuroscience. However, the increasing scale and complexity of simulated models and morphologies have exceeded the capacity of any…

Quantitative Methods · Quantitative Biology 2016-10-10 Weiliang Chen , Erik De Schutter

The trend towards highly parallel multi-processing is ubiquitous in all modern computer architectures, ranging from handheld devices to large-scale HPC systems; yet many applications are struggling to fully utilise the multiple levels of…

Distributed, Parallel, and Cluster Computing · Computer Science 2013-07-19 Michael Lange , Gerard Gorman , Michele Weiland , Lawrence Mitchell , Xiaohu Guo , James Southern

We present a highly scalable, MPI-parallelized framework for reconstructing the initial cosmic density field, designed to meet the computational demands of next-generation cosmological simulations, particularly the upcoming ELUCID-DESI…

Particle-in-Cell (PIC) simulation is the most important numerical tool in plasma physics. However, its long-term accuracy has not been established. To overcome this difficulty, we developed a canonical symplectic PIC method for the…

A method for the optimisation and advanced studies of a laser-plasma electron injector is presented, based on a truncated ionisation injection scheme for high quality beam production. The SMILEI code is used with laser envelope…

We propose an algorithm for generating explicit solutions of multiparametric mixed-integer convex programs to within a given suboptimality tolerance. The algorithm is applicable to a very general class of optimization problems, but is most…

Optimization and Control · Mathematics 2019-06-12 Danylo Malyuta , Behcet Acikmese

MatlabMPI is a Matlab implementation of the Message Passing Interface (MPI) standard and allows any Matlab program to exploit multiple processors. MatlabMPI currently implements the basic six functions that are the core of the MPI…

Astrophysics · Physics 2007-05-23 Jeremy Kepner

Low Density Parity Check (LDPC) codes are linear error correcting codes used in communication systems for Forward Error Correction (FEC). But, intensive computation is required for encoding and decoding of LDPC codes, making it difficult…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-01-13 Bhargav Gokalgandhi , Ivan Seskar

Reduced-order particle-in-cell (PIC) scheme is a novel modeling approach that enables computationally efficient electrostatic kinetic simulations of plasma. In our previous publications, we demonstrated the potentials of a preliminary…

Plasma Physics · Physics 2022-08-30 Maryam Reza , Farbod Faraji , Aaron Knoll

In this paper we propose a methodology for the efficient implementation of Machine Learning (ML)-based methods in particle-in-cell (PIC) codes, with a focus on Monte-Carlo or statistical extensions to the PIC algorithm. The presented…

Computational Physics · Physics 2022-12-16 Chiara Badiali , Pablo J. Bilbao , Fábio Cruz , Luis O. Silva

The current trend of multicore architectures on shared memory systems underscores the need of parallelism. While there are some programming model to express parallelism, thread programming model has become a standard to support these system…

Distributed, Parallel, and Cluster Computing · Computer Science 2010-12-13 D. T. Hasta , A. B. Mutiara

A new method for the simulation of evolving multi-domains problems has been introduced in a previous work (RealIMotion), Florez et al. (2020). In this article further developments of the model will be presented. The main focus here is a…

Computational Engineering, Finance, and Science · Computer Science 2023-07-19 Sebastian Florez , Julien Fausty , Karen Alvarado , Brayan Murgas , Marc Bernacki

Atomic-scale simulations have progressed tremendously over the past decade, largely due to the availability of machine-learning interatomic potentials. These potentials combine the accuracy of electronic structure calculations with the…

New trends towards multiple core processors imply using standard programming models to develop efficient, reliable and portable programs for distributed memory multiprocessors and workstation PC clusters. Message passing using MPI is widely…

Programming Languages · Computer Science 2013-11-05 Alaa I. Elnashar

In this talk I discuss the general question of the portability of Molecular Dynamics codes for diffusive systems on parallel computers of the APE family. The intrinsic single precision arithmetics of the today available APE platforms does…

Biological Physics · Physics 2009-10-30 G. La Penna , S. Letardi , V. Minicozzi , S. Morante , G. C. Rossi , G. Salina

In this work, a new partition-collocation strategy for the parallel execution of CFD--DEM couplings is investigated. Having a good parallel performance is a key issue for an Eulerian-Lagrangian software that aims to be applied to solve…

Computational Engineering, Finance, and Science · Computer Science 2018-10-09 Gabriele Pozzetti , Xavier Besseron , Alban Rousset , Bernhard Peters

We present 3D Particle-in-Cell (PIC) modeling of an ultra-intense laser experiment by the Extreme Light group at the Air Force Research Laboratory (AFRL) using the PIC code LSP. This is the first time PIC simulations have been performed in…

Parallel jobs are different from sequential jobs and require a different type of process management. We present here a process management system for parallel programs such as those written using MPI. A primary goal of the system, which we…

Distributed, Parallel, and Cluster Computing · Computer Science 2007-05-23 Ralph Butler , William Gropp , Ewing Lusk

Processing large-scale graph datasets is computationally intensive and time-consuming. Processor-centric CPU and GPU architectures, commonly used for graph applications, often face bottlenecks caused by extensive data movement between the…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-02-11 Marzieh Barkhordar , Alireza Tabatabaeian , Mohammad Sadrosadati , Christina Giannoula , Juan Gomez Luna , Izzat El Hajj , Onur Mutlu , Alaa R. Alameldeen