Publications of J. Neugebauer

Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)

Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni₂MnGa shape memory alloy from first principles: The martensitic transition & magnetism, The pre-martensitic transition & soft modes, Off-stoichiometry & the stability of the phases. Workshop on magnetic shape memory alloys, Bremen, Germany (2008)

Neugebauer, J.: Ab initio based modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties. Kolloquium der TUM, Garching, Germany (2008)

Ma, D.; Counts, W. A.; Roters, F.; Friák, M.; Neugebauer, J.; Raabe, D.: Using ab initio Simulations in Texture Research. 15th International Conference on the Texture of Materials (ICOTOM 15), Pittsburgh, PA, USA (2008)

Ma, D.; Raabe, D.; Roters, F.; Friák, M.; Neugebauer, J.: Modeling Rolling Textures of Beta Ti Alloys Using Constitutive Data From Ab-initio Simulations. 15 th International Conference on the Texture of Materials (ICOTOM 15), Pittsburgh, PA, USA (2008)

Sander, B.; Ma, D.; Friak, M.; Neugebauer, J.; Raabe, D.: Texture Evolution during Casting and Hot Rolling of a β-Ti-Nb alloy. 15th International Conference on the Texture of Materials (ICOTOM 15), Carnegie Mellon University Center, Pittsburgh, PA, USA (2008)

Lymperakis, L.; Neugebauer, J.: Thermodynamics and adatom kinetic on non-polar GaN surfaces: origin of a strong growth anisotropy. E-MRS Spring meeting, Strasbourg, France (2008)

Lymperakis, L.; Neugebauer, J.: Ab-initio based calculation of GaN surfaces, interfaces, and extended defects. Colloquium Paul-Drude-Institut Berlin, Berlin, Germany (2008)

Neugebauer, J.: Simulation of surface growth processes. 4th International Workshop on Crystal Growth Technology (IWCGT-4), Beatenberg, Switzerland (2008)

Counts, W. A.; Petrov, M.; Friák, M.; Grabowski, B.; Hickel, T.; Raabe, D.; Neugebauer, J.: Using Density Functional Theory to Predict Material Properties of Alloy and Biological Systems. Invited talk at University of Groningen, Department of Biomedical Engineering, Groningen, The Netherlands (2008)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Optical properties of semiconductor nanostructures including strain and piezoelectric effects. PARSEM meeting and workshop, Cambridge, UK (2008)

Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using DFT to Predict Mechanical Properties of MgLi Alloys. APS Meeting, New Orleans, LA, USA (2008)

Hickel, T.; Uijttewaal, M.; Neugebauer, J.: Ab initio Investigations of Temperature Dependent Effects in MSM Alloys. Antragskolloquium SPP1239, Dresden, Germany (2008)

Neugebauer, J.: Computational alloy design by ab initio based growth simulation. 9. Kinetikseminar der DGKK, Aachen, Germany (2008)

Neugebauer, J.: Optimizing materials properties and epitaxial growth of semiconductor devices by ab initio based multiscale modeling. Workshop "Molecular Modelling and Simulation in Applied Materials Science", Frankfurt a. M., Germany (2008)

Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using Ab Initio to Predict Engineering Parameters in bcc Magnesium-Lithium Alloys. American Physics Society March Meeting, New Orleans, LA, USA (2008)

Counts, W. A.; Friák, M.; Raabe, D.; Neugebauer, J.: Using DFT to Predict Mechanical Properties of MgLi Alloys. DPG Meeting, Berlin, Germany (2008)

Abu-Farsakh, H.; Neugebauer, J.: Enhancing N solubility in diluted nitrides by surface kinetics: An ab-initio study. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)

Freysoldt, C.; Neugebauer, J.: Charged defects in a supercell formalism: From an empirical to a fully ab-initio treatment of finite-size effects. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. Spring meeting of the German Physical Society (DPG), Berlin, Germany (2008)