RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution

doi:10.1016/j.softx.2019.100389

Title: RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution

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Authors:: Nomura, Ken-ichi; Kalia, Rajiv K.; Nakano, Aiichiro; Rajak, Pankaj; Vashishta, Priya

Publication Date:: 2020-01-01

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

OSTI Identifier:: 1580550

Grant/Contract Number:: SC0014607

Resource Type:: Published Article

Journal Name:: SoftwareX

Additional Journal Information:: Journal Name: SoftwareX Journal Volume: 11 Journal Issue: C; Journal ID: ISSN 2352-7110

Publisher:: Elsevier

Country of Publication:: United States

Language:: English

Citation Formats


                    Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, Rajak, Pankaj, and Vashishta, Priya. RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution.  United States: N. p., 2020. 
        Web.  doi:10.1016/j.softx.2019.100389.

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                    Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, Rajak, Pankaj, & Vashishta, Priya. RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution.  United States.  doi:10.1016/j.softx.2019.100389.

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                    Nomura, Ken-ichi, Kalia, Rajiv K., Nakano, Aiichiro, Rajak, Pankaj, and Vashishta, Priya. Wed .  
        "RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution".  United States.  doi:10.1016/j.softx.2019.100389.

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@article{osti_1580550,

  title        = {RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution},

  author       = {Nomura, Ken-ichi and Kalia, Rajiv K. and Nakano, Aiichiro and Rajak, Pankaj and Vashishta, Priya},

  abstractNote = {},

  doi          = {10.1016/j.softx.2019.100389},

  journal      = {SoftwareX},

  number       = C,

  volume       = 11,

  place        = {United States},

  year         = {2020},

  month        = {1}

}

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