Program fullerene - a software package for constructing and analyzing structures of regular fullerenes. - Peter Schwerdtfeger; Lukas Wirz; James Avery (J. Comput. Chem., 2013)

Structure and Properties of the Nonface-Spiral Fullerenes T-C380, D3-C384, D3-C440, and D3-C672 and Their Halma and Leapfrog Transforms. - Lukas Wirz; Ralf Tonner; James Avery; Peter Schwerdtfeger (J. Chem. Inf. Model., 2014)

From small fullerenes to the graphene limit: A harmonic force-field method for fullerenes and a comparison to density functional calculations for Goldberg-Coxeter fullerenes up to C980. - Lukas N. Wirz; Ralf Tonner; Andreas Hermann 004; Rebecca Sure; Peter Schwerdtfeger (J. Comput. Chem., 2016)

Calculating the number of Hamilton cycles in layered polyhedral graphs. - Lukas N. Wirz; Peter Schwerdtfeger; James Avery (Comput. Math. Methods, 2021)

Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach. - Maria Pechlaner; Wilfred F. van Gunsteren; Lorna J. Smith; Bartosz Stankiewicz; Lukas N. Wirz; Niels Hansen (J. Chem. Inf. Model., 2024)

Correction to "Molecular Structure Refinement Based on Residual Dipolar Couplings: A Comparison of the Molecular Rotational-Sampling Method with the Alignment-Tensor Approach". - Maria Pechlaner; Wilfred F. van Gunsteren; Lorna J. Smith; Bartosz Stankiewicz; Lukas N. Wirz; Niels Hansen (J. Chem. Inf. Model., 2025)