Lukas Wirz (Ph.D Student)

Centre for Theoretical Chemistry and Physics Bob Tindall Bldg., NZ Institute for Advanced Study Massey University (Albany Campus) Private Bag 102904 North Shore MSC, Auckland New Zealand Phone +64 9 414 0800 ext. 41698 Fax +64 9 443 9779 Email: l.wirz@massey.ac.nz

Research interests

• Topological, graph theoretical and electronic properties of fullerenes
• Development of techniques to perform molecular dynamic simulations on proteins that are biased by NMR data, especially residual dipolar couplings (RDCs) (with Emiritus Prof. Wilfred van Gunsteren and Assist. Prof. Sereina Riniker, ETH Zürich)

Publications:

• P. Schwerdtfeger, L. Wirz, J. Avery, "The Topology of Fullerenes", WIREs Comput. Mol. Sci., in press. DOI:10.1002/wcms.1207.
  
• L. Wirz, R. Tonner, J. Avery, P. Schwerdtfeger, "Structure and Properties of the Non-Spiral Fullerenes T-C₃₈₀, D₃-C₃₈₄, D₃-C₄₄₀ and D₃-C₆₇₂ and their Halma and Leapfrog Transforms", J. Chem. Inf. Mod. 54, 121-130 (2014).
  
• P. Schwerdtfeger, L. Wirz, J. Avery, "Program Fullerene - A Software Package for Constructing and Analyzing Structures of Regular Fullerenes", J. Comput. Chem. 34, 1508-1526 (2013).
  
• S. Faraji, L. Wirz, A. Dreuw, "Quantum chemical study of the enzymatic repair of T(6-4)C/C(6-4)T UV-photolesions by DNA photolyases", ChemPhysChem 14, 2817-2824 (2013). doi:10.1002/cphc.201300223.