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

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.