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Zexter

Cap interaction between 2 nanotubes facing each other

Is it possible to use nanomaterials simulation tool kit to compute the potential energy minima between the two capped nanotube facing each other?

  1. carbon nanotubes
  2. molecular dynamics (MD)
  3. tool:matsimtk

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    Yongxin Yao

    You’d better specify the atomic structures of the nanotubes and what level of theory or accuracy you want? For instance, emperical potential, tight-binding potential or ab initio DFT level.

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