Fine grained parallelization of Car- Parrinello ab initio molecular dynamics (CPAIMD) for massively parallel architectures: The LeanCP framework


  • Collaborators : G.J. Martyna, M.E. Tuckerman, R. Vadali, Y. Shi, <- S. Kumar and L. Kale.
    Funding : NSF-CHE, NSF-CS, NSF-ITR, IBM



  • Published by Lotus® Freelance Graphics®