@TechReport{CPAIMD-SC2005,
  author = 		 {Sameer Kumar and Yan Shi and Eric Bohm and  L. V. Kale},
  title = 		 {Scalable, fine grain, parallelization of the Car-Parrinello ab initio molecular dynamics method},
  institution =  {UIUC, Dept. of Computer Science},
  year = 		 {2005},
}