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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?

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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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