scikit-nano is a Python toolkit for nanoscience.

scikit-nano Package

The main feature of scikit-nano compared to other existing software and toolkits, is its structure data generators.

scikit-nano can generate structure data (i.e., atomic coordinates) for the following classes of nanostructures:

  • Nano Structures

    • Fullerenes

    • Graphene

    • Nanotubes

      • Single-walled nanotubes (SWNTs) and SWNT bundles.
      • Multi-walled nanotubes (MWNTs) and MWNT bundles
  • Crystal Structures

  • Layered Structures

The following structure data formats are supported:

  • xyz
  • LAMMPS data (limited support for full format spec.)
  • LAMMPS dump (limited support for full format spec.)

Extending input/output capabilities with more structure data formats such as pdb, json, zmatrix, etc. is queued for development

Secondary to its structure generating functions are its structure analysis tools including:

  • defect/vacancy structure analysis
  • nearest-neighbor analysis
  • POAV analysis