HOOMD-blue: A Python package for high-performance molecular dynamics and\n hard particle Monte Carlo simulations

2013/08/26 by Joshua A. Anderson, Anderson, Joshua A., Jens Gläser +3 · 1 citation
Computer Science · Decision Sciences · #Computational Physics (physics.comp-ph) #Computational Physics and Python Applications #FOS: Physical sciences #Scientific Computing and Data Management

paper · pdf · doi:10.48550/arxiv.1308.5587

openalex publication_date 2013/08/26 · openalex created_date 2022/10/04 · openalex updated_date 2026/07/28

Abstract

HOOMD-blue is a particle simulation engine designed for nano- and\ncolloidal-scale molecular dynamics and hard particle Monte Carlo simulations.\nIt has been actively developed since March 2007 and available open source since\nAugust 2008. HOOMD-blue is a Python package with a high performance C++/CUDA\nbackend that we built from the ground up for GPU acceleration. The Python\ninterface allows users to combine HOOMD-blue with with other packages in the\nPython ecosystem to create simulation and analysis workflows. We employ\nsoftware engineering practices to develop, test, maintain, and expand the code.\n

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