Lukas Nico Wirz

Academic interests

  • fullerenes
  • graph theory 
  • molecular dynamics
  • residual dipolar couplings


  • Schwerdtfeger P, Wirz LN, Avery J. Program fullerene: A software package for constructing and analyzing structures of regular fullerenes. J Comput Chem 2013, 34:1508–1526. doi:10.1002/jcc.23278.
  • Schwerdtfeger P, Wirz LN, Avery J. The topology of fullerenes. WIREs Comp Mol Sci 2015, 5:96–145. doi:10.1002/wcms.1207.
  • Wirz, Lukas Nico; Reine, Simen Sommerfelt; Pedersen, Thomas Bondo & Helgaker, Trygve (2016). Efficient auxiliary bases for the non-robust pair atomic resolution of the identity (PARI) method.

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Published Feb. 10, 2016 8:45 AM - Last modified Feb. 23, 2016 11:33 AM