Login / Signup

First Experiences with ab initio Molecular Dynamics on OpenPOWER: The Case of CPMD.

Valéry WeberA. Cristiano I. MalossiIvano TavernelliTeodoro LainoCostas BekasManish ModaniNina WilnerTom HellerAlessandro Curioni
Published in: ISC Workshops (2016)
Keyphrases
  • molecular dynamics
  • high performance computing
  • scientific data
  • protein folding
  • molecular dynamics simulations
  • information systems
  • fluid flow
  • databases
  • distributed systems
  • data generation