Fullerenes

Home CAAGT Authors Gunnar Brinkmann Jan Goedgebeur Brendan McKay

Fullerenes 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.