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La mayoría de los modelos matemáticos empleados para describir fenómenos físicos reales en ciencia e ingeniería están gobernados por ecuaciones parciales diferenciales no-lineales dependientes del tiempo PDEs (Part...

Materie / parole chiave: Heuristics; Computer science; Parallel computing; Computational biology; Theoretical computer science; Biology; Operating system

This thesis, entitled €High Performance Computing for solving large sparse systems. Optical Diffraction Tomography as a case of study€ investigates the computational issues related to the resolution of linear systems o...

MOTIVATION: Molecular simulation has historically been a low-throughput technique, but faster computers and increasing amounts of genomic and structural data are changing this by enabling large-scale automated simulation...

UNLABELLED: RAxML-VI-HPC (randomized axelerated maximum likelihood for high performance computing) is a sequential and parallel program for inference of large phylogenies with maximum likelihood (ML). Low-level technical...

NAMD is a parallel molecular dynamics code designed for high-performance simulation of large biomolecular systems. NAMD scales to hundreds of processors on high-end parallel platforms, as well as tens of processors on lo...

Previous article Next article An Algorithm for Least-Squares Estimation of Nonlinear ParametersDonald W. MarquardtDonald W. Marquardthttps://doi.org/10.1137/0111030PDFPDF PLUSBibTexSections ToolsAdd to favoritesExport Ci...

This is the second half of a two part series devoted to the tabu search metastrategy for optimization problems. Part I introduced the fundamental ideas of tabu search as an approach for guiding other heuristics to overco...

Materie / parole chiave: Parallel computing; Computer science; Benchmark (surveying); Parallel algorithm; Intel iPSC; Algorithm; Range (aeronautics); Molecular dynamics; Supercomputer; Node (physics); Computational science; Physics

Materie / parole chiave: Message passing; Computer science; Parallel computing; Message Passing Interface; Dynamics (music); Computational science; Molecular dynamics; Physics; Acoustics; Quantum mechanics

AutoDock Vina, a new program for molecular docking and virtual screening, is presented. AutoDock Vina achieves an approximately two orders of magnitude speed-up compared with the molecular docking software previously dev...

Molecular simulation is an extremely useful, but computationally very expensive tool for studies of chemical and biomolecular systems. Here, we present a new implementation of our molecular simulation toolkit GROMACS whi...

This article describes the software suite GROMACS (Groningen MAchine for Chemical Simulation) that was developed at the University of Groningen, The Netherlands, in the early 1990s. The software, written in ANSI C, origi...

Since the classical molecular dynamics simulator LAMMPS was released as an open source code in 2004, it has become a widely-used tool for particle-based modeling of materials at length scales ranging from atomic to mesos...

MapReduce is a programming model and an associated implementation for processing and generating large datasets that is amenable to a broad variety of real-world tasks. Users specify the computation in terms of a map and ...

Since its introduction in 2001, MrBayes has grown in popularity as a software package for Bayesian phylogenetic inference using Markov chain Monte Carlo (MCMC) methods. With this note, we announce the release of version ...

The promise of quantum computers is that certain computational tasks might be executed exponentially faster on a quantum processor than on a classical processor1. A fundamental challenge is to build a high-fidelity proce...

We introduce an extremely computation-efficient CNN architecture named ShuffleNet, which is designed specially for mobile devices with very limited computing power (e.g., 10-150 MFLOPs). The new architecture utilizes two...

The problem of multiprogram scheduling on a single processor is studied from the viewpoint of the characteristics peculiar to the program functions that need guaranteed service. It is shown that an optimum fixed priority...

Materie / parole chiave: Computer science; FLOPS; Metric (unit); Architecture; Computation; Performance metric; Computer engineering; Distributed computing; Computer architecture; Parallel computing; Algorithm; Operations management