Hickel, T.; Grabowski, B.; Körmann, F.; Neugebauer, J.: Advancing density functional theory to finite temperatures: Methods and applications in steel design. Journal of Physics: Condensed Matter 24, 053202 (2012)

Todorova, M.: Handling Time and Temperature in Materials Simulation. In: Characterization of Materials, 2nd Edition (Hg. Kaufman, E. N.). WILEY (2012)

Nikolov, S.; Fabritius, H.-O.; Friák, M.; Raabe, D.; Neugebauer, J.: Hierarchical modeling of biological nanocomposites. In: Mechanics of Nanomaterials and Nanotechnology, S. 199 - 224 (Hg. Kavardzhikov, V.; Parashkevova, L.; Baltov, A.). Institute of Mechanics - BAS, Sofia, Sofia, Bulgaria (2012)

Landa, A.; Söderlind, P.; Grabowski, B.; Patrice, E. A.; Turchi, A.; Ruban, A. V.; Vitos, L.: Ab Initio Study of Advanced Metallic Nuclear Fuels for Fast Breeder Reactors. In: Materials Research Society Proceedings, Bd. 1444. 2012 MRS Spring Meeting, San Francisco, CA, USA, 09. April 2012 - 13. April 2012. (2012)

Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Yi, S.; Letzig, D.; Pei, Z.; Zhu, L.-F.; Neugebauer, J.; Raabe, D.: Complementary TEM and ab ignition study on the ductilizing effect of Y in solid solution Mg–Y alloys. In: Proceedings of the 9th Intern. Conference on Magnesium alloys and their applications, S. 467 - 472. 9th Intern. Conference on Magnesium alloys and their applications, Vancouver, Canada, 08. Juli 2012 - 12. Juli 2012. (2012)

Neugebauer, J.: Ab initio based free energy sampling. Workshop, Lake Arrowhead, CA, USA (2012)

Neugebauer, J.: Materials Design based on predictive ab initio Thermodynamics. Colloquium Talk at Imperial College London, London, UK (2012)

Neugebauer, J.: Fully ab initio determination of free energies: Achievments and challenges. SGTE-Workshop, Herzogenrath, Germany (2012)

Hüter, C.; Twiste, F.; Spatschek, R.; Neugebauer, J.: Liquid Metal Embrittlement: Linking Small Scale Wetting Phenomena and Mesoscale Pattern Formation Processes. MRS 2012, Boston, MA, USA (2012)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio point defects up to melting: Deviations from Arrhenius-like behavior. MRS, Fall meeting, Boston, MA, USA (2012)

Spatschek, R.; Korbmacher, D.; von Pezold, J.; Hüter, C.; Brinckmann, S.; Neugebauer, J.: Scale Bridging Modeling of Hydrogen Embrittlement. 2012 MRS Fall Meeting & Exhibit, Boston, MA, USA (2012)

Grabowski, B.: Quantitative Limits of DFT Phase Transitions: Importance of Anharmonicity, Point Defects and Exchange-Correlation Functionals. Workshop on "Simulation of Complex Microstructure Pathways for Alloy Design.", McMaster University, Hamilton, Canada (2012)

Grabowski, B.; Tasan, C.: Design of Adaptive Structural Materials: A coupled theoretical-experimental approach. 10th Materials Day, Bochum, Germany (2012)

Neugebauer, J.: Fully ab initio determination of free energies: Basis for inverse approaches in materials design. MRS Fall Meeting, Boston, MA, USA (2012)

Nikolov, S.; Fabritius, H.-O.; Friák, M.; Raabe, D.: The Multiscale Modeling of Biomaterials as a Tool for Understanding the Design Principles in Nature. IVth National Crystallographic Symposium, Sofia, Bulgaria (2012)

Sandlöbes, S.; Friák, M.; Dick, A.; Zaefferer, S.; Pei, Z.; Zhu, L.-F.; Sha, G.; Ringer, S.; Neugebauer, J.; Raabe, D.: Combining ab initio calculations and high resolution experiments to improve the understanding of advanced Mg-Y and Mg-RE alloys. 7th Annual Conference of the ARC Centre of Excellence for Design in Light Metals, Melbourne, VIC, Australia (2012)

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The influence of magnetic excitations on the phase stability of metals and steels. Seminar Talk at Institute for Pure and Applied Math, UCLA, University of California, Los Angeles, CA, USA (2012)

Körmann, F.; Schreiber, S.: Thermodynamics based on Bond Order Potentials. Culminating IPAM Workshop, Lake Arrowhead, CA, USA (2012)

Chakrabarty, A.; von Pezold, J.; Neugebauer, J.: Hydrogen in fcc antiferromagnetic FeMn: An ab-initio study. SFB761 annual retreat meeting 2012, Bad Neuenahr, Germany (2012)

Neugebauer, J.: Ab initio based multiscale modeling of structural materials: From a predictive thermodynamic description to tailored mechanical properties. MMM 2012 - Multiscale Materials Modeling Conference, Singapore City, Singapore (2012)