Gunnar Brinkmann

Jan Goedgebeur

Brendan McKay


Buckygen is a program for the efficient generation of all nonisomorphic fullerenes. These are triangulations where all vertices have degree 5 or 6. Or if the dual representation is used: cubic plane graphs where all faces are pentagons or hexagons.

The program can also be used to generate IPR fullerenes, these are fullerenes which have no adjacent degree 5 vertices.

The algorithms used in the generator are described in:

  • G. Brinkmann, J. Goedgebeur and B.D. McKay, The Generation of Fullerenes,
    Journal of Chemical Information and Modeling, 52(11):2910-2918, 2012 (arXiv | DOI).
  • J. Goedgebeur and B.D. McKay, Recursive generation of IPR fullerenes,
    Journal of Mathematical Chemistry, 53(8):1702-1724, 2015 (arXiv | DOI).

This generator can be downloaded here and a short manual can be found here. Buckygen is released under the GNU General Public License (GPL) and has been tested on Linux and Mac OS X.

Installation instructions:

  • Download and extract the latest version of buckygen.
  • Compile using the command "make".

The fullerene counts (including downloadable lists) can be found at the House of Graphs.

Don't hesitate to contact us at jan.goedgebeur[at]ugent.be if you have any further questions or suggestions.

Last update: May 31, 2012.