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GALAMOST: GPU-accelerated large-scale molecular simulation toolkit

You-Liang Zhu, Hong Liu, Zhan-Wei Li, Hu-Jun Qian, Giuseppe Milano, Zhong-Yuan Lu
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}

}

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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.
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