Publications of Jörg Neugebauer

Körmann, F.; Alling, B.; Grabowski, B.; Dutta, B.; Hickel, T.; Neugebauer, J.: Parameter-free Computational Design of Magnetic Materials – Recent Advances in Ab Initio Techniques of Coupled Lattice and Spin Fluctuations. MRS Fall Meeting 2016, Boston, MA, USA (2016)

Neugebauer, J.: Solvent-controlled single atom dissolution, surface alloying and Wulff shapes of nanoclusters; Electrocatalysis at electrocodes in the dry. Workshop: Research Area III, ZEMOS, Bochum, Germany (2016)

Neugebauer, J.: Point Defects at Finite Temperatures. BUNSEN COLLOQUIUM - Defects and Diffusion in Solids, RWTH Aachen, Aachen, Germany (2016)

Raabe, D.; Ponge, D.; Gault, B.; Herbig, M.; Liebscher, C.; Dey, P.; Dehm, G.; Welsch, E. D.; Yao, M.; Wong, S. L. et al.; Hickel, T.; Lipinska-Chwalek, M.; Neugebauer, J.; Prahl, U.; Madivala, M.; Scheu, C.; Bleck, W.: Ab-Initio Guided Design of Twinning Induced Plasticity and Weight Reduced Austenitic Steels. MRS Fall Meeting, Boston, MA, USA (2016)

Raabe, D.; Ponge, D.; Gault, B.; Herbig, M.; Liebscher, C.; Kuzmina, M.; Leyson, G.; Wang, M.; Tasan, C. C.; Nematollahi, G. A. et al.; Springer, H.; Belde, M. M.; Neugebauer, J.; Sandlöbes, S.: Segregation Engineering - Solute Decoration, Complexions and Transformations for Self-Organized Metallurgical Bulk Nanostructures. MRS Fall Meeting, Boston, MA, USA (2016)

Neugebauer, J.: Collective variable description of crystal anharmonicity. IPAM Workshop II: Collective Variables in Classical Mechanics, Los Angeles, CA, USA (2016)

Lymperakis, L.; Freysoldt, C.; Schulz, T.; Maisel, S.; Albrecht, M.; Neugebauer, J.: Ordering Phenomena in InGaN Alloys-An Ab-Initio Thermodynamics Study. International Workshop on Nitride Semiconductors (IWN2016), Orlando, FL, USA (2016)

Neugebauer, J.: Modelling structural materials in extreme environments by ab initio guided multiscale simulations. International Workshop “Theory and Modelling of Materials in Extreme Environment", Abingdon, UK (2016)

Neugebauer, J.: Ab initio thermodynamic description of advanced structural materials: Status and challenges. Workshop “Ab-initio Based Modeling of Advanced Materials”, Yekaterinburg, Russia (2016)

Neugebauer, J.: Stahl: Wie ein alter Werkstoff sich immer wieder neu erfindet und damit Wissenschaft und Wirtschaft beflügelt. 129. Versammlung der Gesellschaft der deutschen Naturforscher und Ärzte, Greifswald, Germany (2016)

Dutta, B.; Hickel, T.; Neugebauer, J.: Intermartensitic Phase Boundaries in Ni–Mn–Ga Alloys: A Viewpoint from Ab initio Thermodynamics. 5th International Conference on Ferromagnetic Shape Memory Alloys, Sendai, Japan (2016)

Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Thermodynamic properties of the quaternary Q phase in Al–Cu–Mg–Si: a combined ab-initio, phonon and compound energy formalism approach. Materials Science and Engineering 2016 (MSE), Darmstadt, Germany (2016)

Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: Thermodynamic properties of the quaternary Q phase in Al–Cu–Mg–Si: a combined ab-initio, phonon and compound energy formalism approach. International Conference on Advanced Materials Modelling (ICAMM), Rennes, France (2016)

Neugebauer, J.: Ab initio description of defects in materials under extreme conditions. 2016 Joint ICTP-CAS-IAEA School and Workshop on Plasma-Material Interaction in Fusion Devices, Hefei, China (2016)

Gault, B.; Herbig, M.; Povstugar, I.; Liebscher, C.; Kuzmina, M.; Cojocaru-Mirédin, O.; Dehm, G.; Nematollahi, G. A.; Ponge, D.; Scheu, C. et al.; Stoffers, A.; Sandlöbes, S.; Neugebauer, J.; Raabe, D.: Atoms, ions, electrons: simulated, measured and manipulated. Workshop on Scientific Directions for Future Transmission Electron Microscopy, Jülich, Germany (2016)

Ponge, D.; Gault, B.; Herbig, M.; Liebscher, C.; Kuzmina, M.; Dehm, G.; Welsch, E. D.; Yao, M.; Hickel, T.; Li, Z. et al.; Tasan, C. C.; Neugebauer, J.; Scheu, C.; Stoffers, A.; Sandlöbes, S.; Raabe, D.: Chemo-Mechanics at Lattice Defects: from Mechanisms to Bulk Alloys. Gordon Research Conference on Thin Film & Small Scale Mechanical Behavior, Lewiston, ME, USA (2016)

Dutta, B.; Hickel, T.; Neugebauer, J.: Martensitic transformation in metamagnetic NiMnAl-based alloys: Insights for magnetocaloric properties. 2nd German-Dutch Workshop on Computational Materials Science, Domburg, The Netherlands (2016)

Zhu, L.-F.; Grabowski, B.; Neugebauer, J.: Development of methodologies to efficiently compute melting properties fully from ab initio. 2nd German-Dutch Workshop on Computational Materials Science, Domburg, The Netherlands (2016)

Neugebauer, J.: HPC-Based Quantum Mechanical Design of Engineering Materials. Exascale Computing Workshop during ICS 2016, Frankfurt, Germany (2016)

Neugebauer, J.: Hydrogen embrittlement research at the MPIE (Max-Planck-Institut für Eisenforschung). SNEAC Workshop Environmental Assisted Cracking, Trondheim, Norway (2016)