DFT studies using supercells and projector-augmented waves for structure, energetics, and dynamics of glycine, alanine, and cysteine. - R. Maul; Frank Ortmann; Martin Preuss; Karsten Hannewald; Friedhelm Bechstedt (J. Comput. Chem., 2007)

Quantum Confined Stark Effect in Embedded PbTe Nanocrystals. - Roman Leitsmann; Friedhelm Bechstedt; Frank Ortmann (High Performance Computing in Science and Engineering, 2008)

Organic-Metal Interface: Adsorption of Cysteine on Au(110) from First Principles. - B. Höffling; Frank Ortmann; Karsten Hannewald; Friedhelm Bechstedt (High Performance Computing in Science and Engineering, 2010)

Cysteine on Gold: An ab-initio Investigation. - B. Höffling; Frank Ortmann; Karsten Hannewald; Friedhelm Bechstedt (High Performance Computing in Science and Engineering, 2011)