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A Prototype of a Scalable Multi-GPU Molecular Dynamics Simulator for Large Molecular Systems.

Gonzalo Nicolas-BarrealesMarcos NovalbosMiguel Ángel OtaduyAlberto Sánchez
Published in: CEIG (2018)
Keyphrases
  • molecular dynamics
  • databases
  • distributed systems
  • high performance computing
  • molecular dynamics simulations
  • software engineering
  • computer systems