Materials simulations using VASP - a quantum perspective to materials science. - Jürgen Hafner (Comput. Phys. Commun., 2007)

Ab-initio simulations of materials using VASP: Density-functional theory and beyond. - Jürgen Hafner (J. Comput. Chem., 2008)

Interaction of NO molecules with Pd clusters: Ab initio density-functional study. - Robert Grybos; Lubomir Benco; Tomás Bucko; Jürgen Hafner (J. Comput. Chem., 2009)