Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations

Jaewoon Jung, Wataru Nishima, Marcus Daniels, Gavin Bascom, Chigusa Kobayashi, Adetokunbo Adedoyin, Michael Wall, Anna Lappala, Dominic Phillips, William Fischer, Chang-Shung Tung, Tamar Schlick, Yuji Sugita, Karissa Y. Sanbonmatsu. Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations. Journal of Computational Chemistry, 40(21):1919-1930, 2019. [doi]

@article{JungNDBKAWLPFTS19,
  title = {Scaling molecular dynamics beyond 100, 000 processor cores for large-scale biophysical simulations},
  author = {Jaewoon Jung and Wataru Nishima and Marcus Daniels and Gavin Bascom and Chigusa Kobayashi and Adetokunbo Adedoyin and Michael Wall and Anna Lappala and Dominic Phillips and William Fischer and Chang-Shung Tung and Tamar Schlick and Yuji Sugita and Karissa Y. Sanbonmatsu},
  year = {2019},
  doi = {10.1002/jcc.25840},
  url = {https://doi.org/10.1002/jcc.25840},
  researchr = {https://researchr.org/publication/JungNDBKAWLPFTS19},
  cites = {0},
  citedby = {0},
  journal = {Journal of Computational Chemistry},
  volume = {40},
  number = {21},
  pages = {1919-1930},
}