Ground- and excited-state properties of DNA base molecules from plane-wave calculations using ultrasoft pseudopotentials. - Martin Preuss; Wolf G. Schmidt; Kaori Seino; Jürgen Furthmüller; Friedhelm Bechstedt (J. Comput. Chem., 2004)

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)

Ab-initio Characterization of Electronic Properties of PbTe Quantum Dots Embedded in a CdTe Matrix. - Roman Leitsmann; Friedhelm Bechstedt (High Performance Computing in Science and Engineering, 2010)

Finite-size modelling of electrodes for quantum transport calculations using k-space ab initio techniques. - Björn Oetzel; Friedhelm Bechstedt; Karsten Hannewald (Comput. Phys. Commun., 2010)

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

Electronic and Optical Properties of Alkaline Earth Metal Fluoride Crystals with the Inclusion of Many-Body Effects: A Comparative Study on Rutile MgF2 and Cubic SrF2. - Giancarlo Cappellini; Jürgen Furthmüller; Friedhelm Bechstedt; Silvana Botti (Symmetry, 2023)