Lange, B.; Freysoldt, C.; Neugebauer, J.: Quantitativly optimized atomic orbitals (QUAMOLs) - SxQuamol. 1st International S/PHI/nX Developers Convention, Erkrath, Germany (2012)

Dutta, B.; Al-Zubi, A.; Hickel, T.; Neugebauer, J.: Ab-initio study of phase transitions in Magnetic Shape Memory Alloys. SPP1239 focus meeting, IFW Dresden, Germany (2012)

Nazarov, R.; Hickel, T.; Neugebauer, J.: Influence of alloying elements on solubility and diffusivity of H in different steel phases. HYDRAMYCROS Workshop, Ghent, Belgium (2012)

Nematollahi, A.; von Pezold, J.; Neugebauer, J.; Raabe, D.: Why do co-deformed composites have high strength after phase dissolution? SurMat Seminar 2012, Meschede, Germany (2012)

Grabowski, B.: Ab initio prediction of materials properties up to the melting point. Condensed Matter and Materials Division seminar series, Lawrence Livermore National Lab, Livermore, CA, USA (2012)

Raabe, D.; Ponge, D.; Choi, P.; Zaefferer, S.; Hickel, T.; Friák, M.; Neugebauer, J.: Nanostructuring of 1 Million tons: Designing steels using quantum mechanics and atom probe tomography. Seminar Talk at University of Saarland, Saarbrücken, Germany (2012)

Todorova, M.: Extending the concept of semiconductor defect chemistry to electro-chemistry: Potential and challenges. Seminar talk at Lehrstuhl für Theoretische Chemie, Universität Duisburg-Essen, Essen, Germany (2012)

Todorova, M.: Combining ab initio calculations with thermodynamic concepts to address questions related to aqueous corrosion. Seminar talk at Lehrstuhr für Theoretische Chemie, TU München, München, Germany (2012)

von Pezold, J.; Lymperakis, L.; Neugebauer, J.: Towards an ab-initio based understanding of H-embrittlement: An atomistic study of the HELP mechanism. Joint Hydrogenius and ICNER International Workshop on Hydrogen-Materials Interactions, Kyushu, Japan (2012)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: The dangling-bond defect in amorphous silicon: Insights from ab initio calculations of EPR parameters. 1st Austrian-German workshop on computational materials design, Kramsach, Austria (2012)

Aydin, U.; Hickel, T.; Neugebauer, J.: Solution enthalpy of hydrogen in 3d transition metals and neighboring elements. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Bleskov, I.; Hickel, T.; Neugebauer, J.: Ab initio investigation of the stacking fault in Fe-based alloys. 1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria (2012)

Dutta, B.; Hickel, T.; Neugebauer, J.: Ab-initio calculation of phonons in disordered systems. 1st Austrian-German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Freysoldt, C.: Charge corrections in supercells. Workshop on "Modern developments in the ab initio description of charged systems for semiconductors and electrochemistry, Ringberg, Germany (2012)

Freysoldt, C.: SPHInX update. 1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria (2012)

Izanlou, A.; Todorova, M.; Friák, M.; Neugebauer, J.: Ab initio study of stability of Fe₃Al surfaces in contact with an oxygen atmosphere. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Atomic forces at finite magnetic temperatures: Phonons in paramagnetic iron. 1st Austrian/German Workshop on Computational Materials Design, Kramsach, Austria (2012)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Point-defect energetics from LDA, PBE, and HSE: Different functionals, different energetics? 1.st Austrian/German Workshop on Computational Materials Design, Kramsach, Tyrol, Austria (2012)

von Pezold, J.; Udyansky, A.; Neugebauer, J.: Understanding H-H interactions in fcc metals. 1st Austrian-german workshop on Computational Materials Design, Kramsach, Austria (2012)

Korbmacher, D.; von Pezold, J.; Spatschek, R.: Hydrogen embrittlement - A scale bridging perspective. 1st Austrian-German workshop on Computational Materials Design, Kramsach, Austria (2012)