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Large-Scale First-Principles Molecular Dynamics simulations on the BlueGene/L Platform using the Qbox code.

François GygiRobert K. YatesJuergen LorenzErik W. DraegerFranz FranchettiChristoph W. UeberhuberBronis R. de SupinskiStefan KralJohn A. GunnelsJames C. Sexton
Published in: SC (2005)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • source code
  • scientific data
  • texas instruments
  • databases
  • protein folding
  • fault tolerant
  • energy efficiency