GALAMOST: GPU-accelerated large-scale molecular simulation toolkit
State Key Laboratory of Theoretical and Computational Chemistry, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China
arXiv:1310.2041 [physics.comp-ph], (8 Oct 2013)
@article{2013arXiv1310.2041Z,
author={Zhu}, Y.-L. and {Liu}, H. and {Li}, Z.-W. and {Qian}, H.-J. and {Milano}, G. and {Lu}, Z.-Y.},
title={"{GALAMOST: GPU-accelerated large-scale molecular simulation toolkit}"},
journal={ArXiv e-prints},
archivePrefix={"arXiv"},
eprint={1310.2041},
primaryClass={"physics.comp-ph"},
keywords={Physics – Computational Physics, Condensed Matter – Soft Condensed Matter, Physics – Chemical Physics},
year={2013},
month={oct},
adsurl={http://adsabs.harvard.edu/abs/2013arXiv1310.2041Z},
adsnote={Provided by the SAO/NASA Astrophysics Data System}
}
A new molecular simulation toolkit composed of some lately developed force fields and specified models is presented to study the self-assembly, phase transition, and other properties of polymeric systems at mesoscopic scale by utilizing the computational power of GPUs. In addition, the hierarchical self-assembly of soft anisotropic particles and the problems related to polymerization can be studied by corresponding models included in this toolkit.
October 10, 2013 by hgpu
