Publications of J. Neugebauer

Neugebauer, J.: Ab initio Multiscale Simulations of Thermodynamic Properties up to the Melting Point. Gordon Research Conference High Temperature Materials, Processes & Diagnostics, Waterville, USA (2010)

Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio prediction of thermodynamic data for selected phases of the Al-Mg-Si-Cu system. CECAM Summer School on Computational Materials Sciences, San Sebastian, Spain (2010)

Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Using ab initio methods to predict thermodynamic properties of metals. Summer School: Computational Materials Science, San Sebastian, Spain (2010)

Hickel, T.; Dick, A.; Körmann, F.; Neugebauer, J.: Ab initio Bestimmung thermodynamischer Eigenschaften des Legierungssystems Fe-Mn-C. Sitzung FA Computersimulation der DGM, Aachen, Germany (2010)

Marquardt, O.; Gambaryan, K. M.; Aroutiounian, V. M.; Hickel, T.; Neugebauer, J.: Growth process, characterization and optoelectronic properties of InAsSbP dot-pit cooperative nanostructures. VCIAN 2010, Santorini, Greece (2010)

Hickel, T.; Uijttewaal, M.; Al-Zubi, A.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. PTM 2010, Avignon, France (2010)

Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Atomistic study of martensite stability in dilute Fe-based solid solutions. PTM 2010 (Solid-Solid Phase Transformations in Inorganic Materials), Avignon, France (2010)

Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Duisburg University, Duisburg, Germany (2010)

Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Fritz-Haber-Institut der MPG, Berlin, Germany (2010)

Neugebauer, J.: Introduction into Density Functional Theory. Summer School on computational Materials Sciences, San Sebastian, Spain (2010)

Neugebauer, J.: Utilizing solid-solid phase transitions in the design of novel steels: An ab initio approach. PTM2010 Solid-Solid Phase Transformations in Inorganic Materials, Avignon, France (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio concepts for an efficient and accurate determination of thermodynamic properties up to the melting point. Calphad XXXIX, Jeju Island, South Korea (2010)

Hickel, T.; Al-Zubi, A.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. Calphad XXXIX, Jeju Island, South Korea (2010)

Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: First principles concepts to determine the heat capacity of Fe-based alloys. Calphad XXXIX, Jeju Island, South Korea (2010)

Friák, M.; Nikolov, S.; Petrov, M.; Elstnerová, P.; Sachs, C.; Fabritius, H.; Ma, D.; Lymperakis, L.; Raabe, D.; Neugebauer, J.: Ab initio based study of multi-scale elastic properties of hierarchical biocomposites. Seminar talk at Masaryk University, Brno, Czech Republic (2010)

Udyansky, A.; von Pezold, J.; Dick, A.; Neugebauer, J.: Impurity ordering in iron: An ab initio based multi-scale approach. GraCoS Workshop (Carbon and Nitrogen in Steels: Measurement, Phase Transformations and Mechanical Properties), Rouen, France (2010)

Freysoldt, C.; Lange, B.; Neugebauer, J.: Defect distributions at III-nitride interfaces from ab-initio-based thermodynamic data. DPG spring meeting, Regensburg, Germany (2010)

Abu-Farsakh, H.; Neugebauer, J.: Exploring the unusual diffusion of N adatoms on GaAs(001) using first principles calculations. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Chemical trends of the solution enthalpy of hydrogen in 3d transition metals in dilute limit, derived from first principles. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)