Publications of J. Neugebauer

Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Determination of symmetry-reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (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. Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)

Petrov, M.; Friák, M.; Lymperakis, L.; Neugebauer, J.; Raabe, D.: An ab-initio study of hardness anisotropy of crystalline alpha-chitin. International Max-Planck Workshop on Multiscale Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)

Lymperakis, L.; Neugebauer, J.: Ab-initio based multiscale calculations of grain boundaries in Aluminium. ESOMAT 2006, Bochum, Germany (2006)

Abu-Farsakh, H.; Neugebauer, J.: Enhancing the solubility of N in GaAs and InAs by surface kinetics. 28th International Conference on the Physics of Semiconductors, Vienna, Austria (2006)

Dick, A.; Yang, R.; Yang, H.; Smith, A. R.; Neugebauer, J.: Ab-Initio Analysis of SP-STM of Mn₃N₂ (010) Surfaces. 4th International Conference on Scanning Probe Spectroscopy (SPS'06) and 1st International Workshop on Spin-Polarized Scanning Tunneling Microscopy (SPSTM-1), Hamburg, Germany (2006)

Abu-Farsakh, H.; Neugebauer, J.: Enhancing bulk solubility by surface engineering: An ab-initio study. Workshop: Ab initio Description of Iron and Steel, Status and future challenges, Ringberg Castle, Germany (2006)

Dick, A.; Pascual, N.; Horn, K.; Neugebauer, J.: Novel techniques to study the bulk electronic structure of metals: An ab initio based analysis of scanning tunneling microscopy. International workshop "Ab initio Description of Iron and Steel (ADIS2006), Ringberg Castle, Germany (2006)

Hickel, T.; Grabowski, B.; Neugebauer, J.; Neumann, B.; Neumann, K.-U.; Ziebeck, K. R. A.: Temperature dependent properties of the Heusler alloy Ni²⁺xMn^1-xGa. International Workshop on Ab initio Description of Iron and Steel (ADIS2006), Status and future challenges, Ringberg Castle, Germany (2006)

Ismer, L.; Ireta, J.; Neugebauer, J.: Employing DFT and periodic boundary conditions to study the thermodynamic stability of the secondary structure of proteins. ADIS 2006, Ringberg Castle (2006)

Friák, M.; Neugebauer, J.: Anomalous equilibrium volume change of magnetic Fe–Al crystals. 3rd Discussion Meeting on the Development of Innovative Iron Aluminium Alloys, Mettmann, Germany (2006)

Friák, M.; Neugebauer, J.; Sander, B.; Raabe, D.: Ab initio study of chemical and structural trends of Ti-based binary alloys. Materials Research Society fall meeting, Boston, MA, USA (2006)

Lymperakis, L.; Neugebauer, J.: Exploring the 5D configurational space of grain boundaries in aluminun: An ab-initio based multiscale analysis. MRS Fall Meeting, Boston, MA, USA (2006)

Dick, A.; Neugebauer, J.: Probing of bulk band edges by STM: An ab initio analysis. Psi-k 2005 Conference, Schwäbisch Gmünd, Germany (2005)

Ismer, L.; Ireta, J.; Neugebauer, J.: Thermodynamic stability of the secondary structure of proteins: A DFT-GGA based vibrational analysis. Psi-k 2005 Conference, Schwäbisch Gmünd, Germany (2005)

Wahn, M.; Neugebauer, J.: Generalized Wannier Functions: An efficient way to construct ab-initio tight-binding orbitals for group-III nitrides. 6th International Conference on Nitride Semiconductors, Bremen, Germany (2005)

Hickel, T.; Grabowski, B.; Neumann, K.; Neumann, K.-U.; Ziebeck, K. R. A.; Neugebauer, J.: Temperature dependent properties of Ni-rich Ni₂MnGa. Materials Research Society fall meeting, Boston, MA, USA (2005)

Ismer, L.; Ireta, J.; Neugebauer, J.: Thermodynamic stability of the secondary structure of proteins: A DFT-GGA based vibrational analysis. IPAM-Workshop: Multiscale Modeling in Soft Matter and Bio-Physics, Los Angeles, CA, USA (2005)

Lymperakis, L.; Neugebauer, J.: Ab-initio based multiscale calculations of low-angle grain boundaries in Aluminium. Materials Research Society fall meeting, Boston, MA, USA (2005)

Neugebauer, J.: Application and Implementation of Electronic Structure Methods. Lecture: WS 2024/2025, Ruhr-Universität Bochum, 2024-10 - 2025-02