Comparison of static and dynamic navigation systems for insertion of dental implants. - Max Zinser; Jörg Neugebauer; Robert A. Mischkowski; V. E. Karapedian; Alexander C. Kübler; Joachim E. Zöller (CARS, 2004)

Exact-exchange calculations of the electronic structure of AlN, GaN and InN. - Abdallah Qteish; Abdullah Al-Sharif; M. Fuchs; Matthias Scheffler; Sixten Boeck; Jörg Neugebauer (Comput. Phys. Commun., 2005)

Wide band gap semiconductor nanostructures for optoelectronic applications. - Klaus Lischka; Andreas Waag; H. Mariette; Jörg Neugebauer (Microelectron. J., 2009)

Plane-wave implementation of the real-space k.p formalism and continuum elasticity theory. - Oliver Marquardt; Sixten Boeck; Christoph Freysoldt; Tilmann Hickel; Jörg Neugebauer (Comput. Phys. Commun., 2010)

The object-oriented DFT program library S/PHI/nX. - Sixten Boeck; Christoph Freysoldt; A. Dick; L. Ismer; Jörg Neugebauer (Comput. Phys. Commun., 2011)

Impact of Mn on the solution enthalpy of hydrogen in austenitic Fe-Mn alloys: A first-principles study. - Jörg Von Appen; Richard Dronskowski; Aurab Chakrabarty; Tilmann Hickel; Robert Spatschek; Jörg Neugebauer (J. Comput. Chem., 2014)

Impact of Chemical Fluctuations on Stacking Fault Energies of CrCoNi and CrMnFeCoNi High Entropy Alloys from First Principles. - Yuji Ikeda; Fritz Körmann; Isao Tanaka; Jörg Neugebauer (Entropy, 2018)

GB code: A grain boundary generation code. - R. Hadian; Blazej Grabowski; Jörg Neugebauer (J. Open Source Softw., 2018)

Simulating short-range order in compositionally complex materials. - Alberto Ferrari; Fritz Körmann; Mark Asta; Jörg Neugebauer (Nat. Comput. Sci., 2023)

Accelerating the design of compositionally complex materials via physics-informed artificial intelligence. - Dierk Raabe; Jaber Rezaei Mianroodi; Jörg Neugebauer (Nat. Comput. Sci., 2023)

mamonca: magnetic Monte Carlo code. - Osamu Waseda; Tilmann Hickel; Jörg Neugebauer (J. Open Source Softw., 2024)

A Python workflow definition for computational materials design. - Jan Janssen; Janine George; Julian Geiger; Marnik Bercx; Xing Wang; Christina Ertural; Jörg Schaarschmidt; Alex M. Ganose; Giovanni Pizzi; Tilmann Hickel; Jörg Neugebauer (CoRR, 2025)

Executorlib - Up-scaling Python workflows for hierarchical heterogenous high-performance computing. - Jan Janssen; Michael Gilbert Taylor; Ping Yang; Jörg Neugebauer; Danny Perez (J. Open Source Softw., 2025)