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Modeling condensed-phase chemistry through molecular dynamics simulation.

Srinivasan IyengarChristian J. BurnhamMatt K. PetersenGregory A. Voth
Published in: Comput. Sci. Eng. (2003)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • numerical simulations
  • image sequences
  • fluid flow