Talk (1155)

1321.
Talk
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)
1322.
Talk
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)
1323.
Talk
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Charged defects in the supercell approach. Seminar at Duisburg University, Duisburg, Germany (2010)
1324.
Talk
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)
1325.
Talk
Neugebauer, J.: Introduction into Density Functional Theory. Summer School on computational Materials Sciences, San Sebastian, Spain (2010)
1326.
Talk
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)
1327.
Talk
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)
1328.
Talk
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)
1329.
Talk
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)
1330.
Talk
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)
1331.
Talk
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)
1332.
Talk
Freysoldt, C.; Lange, B.; Neugebauer, J.: Defect distributions at III-nitride interfaces from ab-initio-based thermodynamic data. DPG spring meeting, Regensburg, Germany (2010)
1333.
Talk
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)
1334.
Talk
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)
1335.
Talk
Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Computing Ab Initio Free Energy Contributions of Point Defects. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
1336.
Talk
Hickel, T.: Computational Phase Studies: Deriving thermodynamic properties of metals from first principles. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
1337.
Talk
Kim, O.; Friák, M.; Neugebauer, J.: Ab initio analysis of the carbon solubility limits in various iron allotropes. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
1338.
Talk
Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio determination of the magnetic free energy contribution of metallic systems. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
1339.
Talk
Lange, B.; Freysoldt, C.; Neugebauer, J.: Constructing fully numerical, quantitatively optimized atomic orbitals basis-sets. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
1340.
Talk
Liot, F.; Friák, M.; Hickel, T.; Neugebauer, J.: Spin-polarization-induced structural selectivity in substituted Laves phases. DPG Frühjahrstagung 2010, Regensburg, Germany (2010)
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