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Exploring the effect of the O-(1-heptylnonyl) benzene sulfonate surfactant on the nature of the linear hydrocarbons/water interface by means of an atomistic molecular dynamics simulation.

Yosslen ArayJosé Gregorio ParraDoris Marianela JiménezRicardo ParedesAlejandro MartizSamantha SamaniegoMauricio CornejoEduardo V. LudeñaCecilia Paredes
Published in: J. Comput. Methods Sci. Eng. (2017)
Keyphrases
  • molecular dynamics
  • molecular dynamics simulations
  • high performance computing
  • fluid flow
  • scientific data
  • protein folding
  • mathematical model
  • active learning
  • management system
  • fine grained