@Article{LeanCPIBM07, author = {Eric Bohm and Abhinav Bhatele and Laxmikant V. Kale and Mark E. Tuckerman and Sameer Kumar and John A. Gunnels and Glenn J. Martyna}, title = "{Fine Grained Parallelization of the Car-Parrinello ab initio MD Method on Blue Gene/L}", year = {2008}, volume = 52, number = {1/2}, pages ="159-174", JOURNAL = {IBM Journal of Research and Development: Applications of Massively Parallel Systems}, }