Publications of J. Neugebauer

Neugebauer, J.: Ab initio basiertes Computergestütztes Materialdesign: Von der chemischen Bindung zu realen Werkstoffeigenschaften. Seminar at the TU Clausthal, TU Clausthal, Germany (2008)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of semiconductor nanostructures, a PW-approach to real-space properties. MRL seminar at UCSB, UCSB, Santa Barbara, USA (2008)

Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Phonon Workshop, Krakau, Poland (2007)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 2nd Workshop on ab initio phonon calculations, Cracow, Poland (2007)

Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys. MRS Fall Meeting 2007, Boston, MA, USA (2007)

Neugebauer, J.: Ab initio thermodynamic and kinetics based on material design: Present status and perspectives. Seminar at the University of Oxford, Dept. of Materials, Oxford, UK (2007)

Pinto, H.; Petrov, M.; Friak, M.; Lymperakis, L.; Fabritius, H.; Neugebauer, J.; Raabe, D.; Pyzalla, A. R.: Eigenspannungen am Hummerexoskelett. Sitzung des FA 13 Eigenspannungen am AWT, IFW Dresden, Germany (2007)

Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Phase stability and mechanical properties of alloys. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)

Lymperakis, L.; Neugebauer, J.: Solid-Solid interfaces. International Max-Planck Workshop Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)

Neugebauer, J.: Ab initio thermodynamics. International Max-Planck Workshop Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)

Friák, M.; Neugebauer, J.: First principles study of the anomalous volume-composition effect in Fe-Al and Fe-Ga alloys. 4th Discussion Meeting on the Development of Innovative Iron Aluminum Alloys, Interlaken, Switzerland (2007)

Abu-Farsakh, H.; Neugebauer, J.: Ab-initio study of the thermodynamics and kinetics of N at GaAs(001) surface. PAW workshop 2007, Goslar, Germany (2007)

Dick, A.; Neugebauer, J.: Ab initio STM and STS simulations on magnetic and nonmagnetic metallic surfaces. Computational Materials Science Workshop, Goslar, Germany (2007)

Freysoldt, C.; Neugebauer, J.: Charged Point Defects in Semiconductors. PAW workshop 2007, Goslar, Germany (2007)

Friák, M.; Sander, B.; Ma, D.; Raabe, D.; Neugebauer, J.: Ab initio study of the thermodynamics and elasticity in polycrystals. PAW workshop 2007, Goslar, Germany (2007)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. PAW workshop 2007, Goslar, Germany (2007)

Ismer, L.; Hickel, T.; Neugebauer, J.: Hydrogen in Mn-rich steels. PAW workshop 2007, Goslar, Germany (2007)

Kim, O.; Friák, M.; Neugebauer, J.: Ab-initio study of formation energies in steel and their relations to the solubility limits of carbon in austenite and ferrite. PAW workshop 2007, Goslar, Germany (2007)

Lymperakis, L.; Neugebauer, J.: Thermodynamics and kinetics of non-polar GaN surfaces. PAW workshop 2007, Goslar, Germany (2007)

Marquardt, O.; Hickel, T.; Neugebauer, J.: A plane-wave approach to real-space properties of semiconductor nanostructures: Electronic states, strain profiles and piezoelectric fields. PAW workshop 2007, Goslar, Germany (2007)