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RXMD: A scalable reactive molecular dynamics simulator for optimized time-to-solution.

Ken-ichi NomuraRajiv K. KaliaAiichiro NakanoPankaj RajakPriya Vashishta
Published in: SoftwareX (2020)
Keyphrases
  • molecular dynamics
  • fluid flow
  • databases
  • mathematical model
  • high performance computing