@Article{CPAIMD-JCC-2005,
  author = 		 {Ramkumar V. Vadali and Yan Shi and Sameer Kumar and  L. V. Kale and Mark E. Tuckerman and Glenn J. Martyna},
  title = 		 {Scalable fine-grained parallelization of plane-wave-based ab initio molecular dynamics for large supercomputers},
  journal= {Journal of Comptational Chemistry},
  publisher = {Wiley Periodicals Inc},
  pages={2006-2022},
  volume = 25,
  number= 16,
  month= "Oct.",
  year = {2004},
}