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

[Display omitted] HOOMD-blue is a particle simulation engine designed for nano- and colloidal-scale molecular dynamics and hard particle Monte Carlo simulations. It has been actively developed since March 2007 and available open source since August 2008. HOOMD-blue is a Python package with a high pe...

Full description

Saved in:
Bibliographic Details
Published inComputational materials science Vol. 173; p. 109363
Main Authors Anderson, Joshua A., Glaser, Jens, Glotzer, Sharon C.
Format Journal Article
LanguageEnglish
Published Elsevier B.V 15.02.2020
Subjects
CUDA
GPU
Molecular dynamics
Molecular simulation
Monte Carlo
Python
Molecular simulation
CUDA
Molecular dynamics
Monte Carlo
GPU
Python
Online AccessGet full text

Cover

More Information
Summary:[Display omitted] HOOMD-blue is a particle simulation engine designed for nano- and colloidal-scale molecular dynamics and hard particle Monte Carlo simulations. It has been actively developed since March 2007 and available open source since August 2008. HOOMD-blue is a Python package with a high performance C++/CUDA backend that we built from the ground up for GPU acceleration. The Python interface allows users to combine HOOMD-blue with other packages in the Python ecosystem to create simulation and analysis workflows. We employ software engineering practices to develop, test, maintain, and expand the code.
ISSN:0927-0256
1879-0801
DOI:10.1016/j.commatsci.2019.109363