OpenAtom: Ab initio molecular dynamics for petascale platforms

Glenn J. Martyna, Eric J. Bohm, Ramprasad Venkataraman, Laxmikant V Kale, Abhinav Bhatele

Research output: Chapter in Book/Report/Conference proceedingChapter

Original languageEnglish (US)
Title of host publicationParallel Science and Engineering Applications
Subtitle of host publicationThe Charm++ Approach
PublisherCRC Press
Pages77-102
Number of pages26
ISBN (Electronic)9781466504134
ISBN (Print)9781466504127
StatePublished - Apr 19 2016

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Molecular Dynamics
platforms
molecular dynamics

ASJC Scopus subject areas

  • Mathematics(all)
  • Physics and Astronomy(all)

Cite this

Martyna, G. J., Bohm, E. J., Venkataraman, R., Kale, L. V., & Bhatele, A. (2016). OpenAtom: Ab initio molecular dynamics for petascale platforms. In Parallel Science and Engineering Applications: The Charm++ Approach (pp. 77-102). CRC Press.

OpenAtom : Ab initio molecular dynamics for petascale platforms. / Martyna, Glenn J.; Bohm, Eric J.; Venkataraman, Ramprasad; Kale, Laxmikant V; Bhatele, Abhinav.

Parallel Science and Engineering Applications: The Charm++ Approach. CRC Press, 2016. p. 77-102.

Research output: Chapter in Book/Report/Conference proceedingChapter

Martyna, GJ, Bohm, EJ, Venkataraman, R, Kale, LV & Bhatele, A 2016, OpenAtom: Ab initio molecular dynamics for petascale platforms. in Parallel Science and Engineering Applications: The Charm++ Approach. CRC Press, pp. 77-102.
Martyna GJ, Bohm EJ, Venkataraman R, Kale LV, Bhatele A. OpenAtom: Ab initio molecular dynamics for petascale platforms. In Parallel Science and Engineering Applications: The Charm++ Approach. CRC Press. 2016. p. 77-102
Martyna, Glenn J. ; Bohm, Eric J. ; Venkataraman, Ramprasad ; Kale, Laxmikant V ; Bhatele, Abhinav. / OpenAtom : Ab initio molecular dynamics for petascale platforms. Parallel Science and Engineering Applications: The Charm++ Approach. CRC Press, 2016. pp. 77-102
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