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Structure and dynamics of hydrated NH4+: An ab initio QM/MM molecular dynamics simulation.

Pathumwadee IntharathepAnan TongraarKritsana Sagarik
Published in: J. Comput. Chem. (2005)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • scientific data
  • protein folding
  • fluid flow
  • database
  • optical flow
  • fault tolerance