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Acknowledgements and citations

The CAC simulator and analyser were written in Fortran by Shuozhi Xu; the Python scripting interface was written by Alex Selimov and Kevin Chu; the code in its present form is a culmination of developments over the last decades.

The PyCAC code development was sponsored by

National Science Foundation
Georgia Institute of Technology, CMMI-1232878
University of Florida, CMMI-1233113
Iowa State University, CMMI-1536925
Department of Energy, Office of Basic Energy Sciences
University of Florida, DE-SC0006539
Institute for Materials, Georgia Institute of Technology

If you use PyCAC results in your published work, please cite these papers

Shuozhi Xu, Thomas G. Payne, Hao Chen, Yongchao Liu, Liming Xiong, Youping Chen, David L. McDowell. PyCAC: The concurrent atomistic-continuum simulation environment, J. Mater. Res. 33 (2018) 857-871
Shuozhi Xu, Rui Che, Liming Xiong, Youping Chen, David L. McDowell. A quasistatic implementation of the concurrent atomistic-continuum method for FCC crystals, Int. J. Plast. 72 $2015$ 91–126
Liming Xiong, Garritt Tucker, David L. McDowell, Youping Chen. Coarse-grained atomistic simulation of dislocations, J. Mech. Phys. Solids 59 $2011$ 160-177
Youping Chen. Reformulation of microscopic balance equations for multiscale materials modeling, J. Chem. Phys. 130 (2009) 134706

as well as the website www.pycac.org, i.e.,

@article{xu_pycac_2018,
         title = {Py{CAC}: {The} concurrent atomistic-continuum simulation environment},
         volume = {33},
         issn = {0884-2914, 2044-5326},
         doi = {10.1557/jmr.2018.8},
         abstract = {We present a ...},
         journal = {J. Mater. Res.},
         author = {Xu, Shuozhi and Payne, Thomas G. and Chen, Hao and Liu, Yongchao and Xiong, Liming and Chen, Youping and McDowell, David L.},
         month = apr,
         year = {2018},
         pages = {857--871}}

@article{xu_quasistatic_2015,
         title = {A quasistatic implementation of the concurrent atomistic-continuum method for {FCC} crystals},
         volume = {72},
         issn = {0749-6419},
         doi = {10.1016/j.ijplas.2015.05.007},
         abstract = {In recent years, ...},
         journal = {Int. J. Plast.},
         author = {Xu, Shuozhi and Che, Rui and Xiong, Liming and Chen, Youping and McDowell, David L.},
         month = sep,
         year = {2015},
         pages = {91--126}}

@article{xiong_coarse-grained_2011,
          title = {Coarse-grained atomistic simulation of dislocations},
          volume = {59},
          issn = {0022-5096},
          doi = {10.1016/j.jmps.2010.11.005},
          abstract = {This paper presents ...},
          number = {2},
          journal = {J. Mech. Phys. Solids},
          author = {Xiong, Liming and Tucker, Garritt and McDowell, David L. and Chen, Youping},
          month = feb,
          year = {2011},
          pages = {160--177}}

@article{chen_reformulation_2009,
         title = {Reformulation of microscopic balance equations for multiscale materials modeling},
         volume = {130},
         issn = {00219606},
         doi = {10.1063/1.3103887},
         abstract = {In this paper ...},
         number = {13},
         journal = {J. Chem. Phys.},
         author = {Chen, Youping},
         month = apr,
         year = {2009},
         pages = {134706}}

@misc{xu_pycac-manual_2018,
      title = {Py{CAC} {User}'s {Manual}},
      howpublished = {\url{http://www.pycac.org/}},
      author = {Xu, Shuozhi and Chu, Kevin},
      month = aug,
      year = {2017},
      note = {Accessed: \today}}