Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis

Ying Li, Ken-ichi Nomura, Joseph A. Insley, Vitali A. Morozov, Kalyan Kumaran, Nichols A. Romero, William A. Goddard, Rajiv K. Kalia, Aiichiro Nakano, Priya Vashishta. Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis. Computing in Science and Engineering, 21(5):64-75, 2019. [doi]

@article{LiNIMKRGKNV19,
  title = {Scalable Reactive Molecular Dynamics Simulations for Computational Synthesis},
  author = {Ying Li and Ken-ichi Nomura and Joseph A. Insley and Vitali A. Morozov and Kalyan Kumaran and Nichols A. Romero and William A. Goddard and Rajiv K. Kalia and Aiichiro Nakano and Priya Vashishta},
  year = {2019},
  doi = {10.1109/MCSE.2018.110150043},
  url = {https://doi.org/10.1109/MCSE.2018.110150043},
  researchr = {https://researchr.org/publication/LiNIMKRGKNV19},
  cites = {0},
  citedby = {0},
  journal = {Computing in Science and Engineering},
  volume = {21},
  number = {5},
  pages = {64-75},
}