Publications of J. Neugebauer

Marquardt, O.; Hickel, T.; Neugebauer, J.: Modeling of electronic and optical properties of GaN/AlN quantum dots by using the k.p-method. Bremen DFG Forschergruppe: Workshop in Riezlern, Riezlern, Austria (2008)

Raabe, D.; Friak, M.; Neugebauer, J.; Counts, W. A.: Homogenization in Polycrystal Mechanics on the Basis of First Principles Simulations. IUTAM Symposium on Variational Concepts in Materials Mechanics, Ruhr-Universität Bochum, Germany (2008)

Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Mechanical Properties of FeMn-Alloys. Workshop des SFB761, Beilngries, Germany (2008)

Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Calculation of Stacking Fault Energies of FeMn-Alloys. Materials Science and Engineering (MSE08), Nürnberg, Germany (2008)

Friák, M.; Neugebauer, J.: Ab initio study on elastic properties of Fe₃Al-based alloys. Materials Science and Engineering (MSE'08), Nürnberg, Germany (2008)

Hickel, T.; Grabowski, B.; Körmann, F.; Uijttewaal, M.; Dick, A.; Neugebauer, J.: First principles determination of thermodynamic properties of metals. Materials Science and Engineering (MSE08), Nürnberg, Germany (2008)

Neugebauer, J.: Ab Initio Based Modeling of Engineering Materials: From a Predictive Thermodynamic Description to Tailored Mechanical Properties. Materials Science and Engineering, Nürnberg, Germany (2008)

von Pezold, J.; Neugebauer, J.: Multiscale simulations of Hydrogen embrittlement. Materials Science and Engineering (MSE08), Nürnberg, Germany (2008)

von Pezold, J.; Neugebauer, J.: Hydrogen-enhanced local plasticity - An atomistic study. Materials Science and Engineering 2008, Nuernberg, Germany (2008)

Abu-Farsakh, H.; Neugebauer, J.: Solubility and surface kinetics of N in diluted nitrides. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Mechanical Properties of FeMn-Alloys. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Ismer, L.; Ireta, J.; Neugebauer, J.: First principles study of vibrational and thermodynamic properties of the secondary structure of proteins. Computational Materials Science Workshop, Ebernburg 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. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Lange, B.; Freysoldt, C.; Neugebauer, J.: Band dispersion effects in supercell calculations for defects. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Lymperakis, L.; Neugebauer, J.: Grain Boundaries: Statics and Mobility. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Marquardt, O.; Hickel, T.; Neugebauer, J.: Effect of strain and polarization on the electronic properties of 2-, 1- and 0-dimensional semiconductor nanostructures. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Pfanner, G.; Freysoldt, C.; Neugebauer, J.: Numerical studies of the radial Schroedinger equation. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Todorova, M.; Neugebauer, J.: Towards an ab initio description of corrosion. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Atomistic modeling of the strain-induced interaction between carbon atoms in Fe-C solid solution. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)

Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni₂MnGa shape memory alloy from first principles: The (pre-)martensitic transition by phonons and magnons, Soft mode phase transformation by phonon couplings. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)