Publications of J. Neugebauer

Neugebauer, J.: Materials design based on ab initio thermodynamics and kinetics. Mid-term COST conference on Multiscale Modeling of Materials, Brno, Czech Republic (2008)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Neues Licht aus künstlichen Atomen - Halbleiterquantenpunkte. Schulvortrag zur Jahrestagung der MPG, Dresden, Germany (2008)

Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: Ab initio study of the alpha-iron stability limits. Ab initio Description of Iron and Steel: Magnetism and Phase diagrams (ADIS 2008), Ringberg castle, Tegernsee, Germany (2008)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)

Ismer, L.; Friák, M.; Hickel, T.; Neugebauer, J.: Effect of interstitial carbon on the magnetic structure of fcc iron: Towards an ab-initio simulation of austenitic steels. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)

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)