OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities

Nikhil Jain, Eric J. Bohm, Eric Mikida, Subhasish Mandal, Minjung Kim, Prateek Jindal, Qi Li, Sohrab Ismail-Beigi, Glenn J. Martyna, Laxmikant V. Kalé. OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities. In Julian M. Kunkel, Pavan Balaji, Jack Dongarra, editors, High Performance Computing - 31st International Conference, ISC High Performance 2016, Frankfurt, Germany, June 19-23, 2016, Proceedings. Volume 9697 of Lecture Notes in Computer Science, pages 139-158, Springer, 2016. [doi]

@inproceedings{JainBMMKJLIMK16,
  title = {OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities},
  author = {Nikhil Jain and Eric J. Bohm and Eric Mikida and Subhasish Mandal and Minjung Kim and Prateek Jindal and Qi Li and Sohrab Ismail-Beigi and Glenn J. Martyna and Laxmikant V. Kalé},
  year = {2016},
  doi = {10.1007/978-3-319-41321-1_8},
  url = {http://dx.doi.org/10.1007/978-3-319-41321-1_8},
  researchr = {https://researchr.org/publication/JainBMMKJLIMK16},
  cites = {0},
  citedby = {0},
  pages = {139-158},
  booktitle = {High Performance Computing - 31st International Conference, ISC High Performance 2016, Frankfurt, Germany, June 19-23, 2016, Proceedings},
  editor = {Julian M. Kunkel and Pavan Balaji and Jack Dongarra},
  volume = {9697},
  series = {Lecture Notes in Computer Science},
  publisher = {Springer},
  isbn = {978-3-319-41320-4},
}