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Free energetics of carbon nanotube association in aqueous inorganic NaI salt solutions: Temperature effects using all-atom molecular dynamics simulations.

Shuching OuDi CuiMatthew WezowiczMichela TauferSandeep Patel
Published in: J. Comput. Chem. (2015)
Keyphrases
  • molecular dynamics simulations
  • molecular dynamics
  • scheduling problem