Vortrag (1155)

1461.
Vortrag
Neugebauer, J.; Grabowski, B.; Körmann, F.; Dick, A.; Hickel, T.: Ab Initio Thermodynamics: Status, applications and challenges. The second Sino-German Symposium on “Computational Thermodynamics and Kinetics and Their Applications to Solidification”, Kornelimünster/Aachen, Germany (2009)
1462.
Vortrag
Freysoldt, C.; Neugebauer, J.; Van de Walle, C. G.: Fully ab initio supercell corrections for charged defects. CECAM workshop "Which Electronic Structure Method for the Study of Defects?", Lausanne, Switzerland (2009)
1463.
Vortrag
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. 2nd Sino-German Symposium on Computational Thermodynamics and Kinetics and their Application to Solidification, Aachen, Germany (2009)
1464.
Vortrag
Neugebauer, J.: Computing free energy contributions of point defects. ECAM conference: Which Electronic Structure Method for the Study of Defects?, Lausanne, Switzerland (2009)
1465.
Vortrag
Neugebauer, J.: Materials Design Based On Ab Initio Thermodynamics And Kinetics: Present Status And Perspectives. Colloquium at Universität Gießen, Gießen, Germany (2009)
1466.
Vortrag
Raabe, D.; Friák, M.; Nikolov, S.; Ma, D.; Roters, F.; Neugebauer, J.: Modern Methods of Multiscale Modeling. Colloquium at TU Darmstadt to celebrate 20 years of Materials Science Faculty at the TU Darmstadt, Darmstadt, Germany (2009)
1467.
Vortrag
Hickel, T.; Grabowski, B.; Ismer, L.; Neugebauer, J.: Role of Atomistic Simulations in the Prediction of Thermodynamic Properties of Materials. Workshop on Multi-Scale Computational Materials Design of Structural Materials, POSCO international center, Pohang, South Korea (2009)
1468.
Vortrag
Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: The accuracy of first principles methods in predicting thermodynamic properties of metals. Asia Steel 2009, Busan, South Korea (2009)
1469.
Vortrag
von Pezold, J.; Lymperakis, L.; Neugebauer, J.: A multiscale study of the Hydrogen enhanced local plasticity (HELP) mechanism. Asia Steel Conference 2009, Busan, South Korea (2009)
1470.
Vortrag
Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Stacking Fault Properties in FeMn Alloys. Asia Steel Conference 2009, Busan, South Korea (2009)
1471.
Vortrag
Neugebauer, J.: Multi-Scale Computational Materials Design of Structural Materials: First-Principles Calculations. Workshop at Pohang University of Science and Technology, Pohang, South Korea (2009)
1472.
Vortrag
Neugebauer, J.: Ab initio based multiscale modeling of engineering materials: From a predictive thermodynamic description to tailored mechanical properties. Asia Steel Conference, Busan, South Korea (2009)
1473.
Vortrag
Neugebauer, J.: Ab Initio Based Multiscale Modeling of Engineering Materials: From a Predictive Thermodynamic Description to Tailored Mechanical Properties. Colloquium at TU Bergakademie Freiberg, Freiberg, Germany (2009)
1474.
Vortrag
Neugebauer, J.; Wuppermann, C.-D.: Challenge and opportunities for the European Steel Industry. Asia Steel Conference, Busan, South Korea (2009)
1475.
Vortrag
Nazarov, R.; Ismer, L.; Hickel, T.; Neugebauer, J.: Wasserstoff in X-IP Stahl (ab initio) Einfluss von Defekten auf die Energetik und Dynamik von Wasserstoff in Manganstählen. X-IP Workshop, Dortmund, Germany (2009)
1476.
Vortrag
Todorova, M.: Materials under realistic conditions: Oxidation of Pd, stabilization of ZnO surfaces, and the description of ice. Kolloquium des Hochschullehrernachwuchs der Fakultät für Chemie und Biochemie, Ruhr Universitaet Bochum, Germany (2009)
1477.
Vortrag
Todorova, M.: Materials under realistic conditions: Oxidation of Pd, stabilization of ZnO surfaces, and the description of ice. Ruhr Universität Bochum, HLN-Kolloquium, Bochum, Germany (2009)
1478.
Vortrag
Freysoldt, C.; Pfanner, G.; Neugebauer, J.: What can EPR hyperfine parameters tell about the Si dangling bond? - A theoretical viewpoint. 1st International Workshop on the Staebler-Wronski effect, Berlin, Germany (2009)
1479.
Vortrag
Udyansky, A.; von Pezold, J.; Friák, M.; Neugebauer, J.: Multi-scale modeling of the phase stability of interstitial Fe-C solid solutions. Invited talk at MPI for Metal Research, Stuttgart, Germany (2009)
1480.
Vortrag
Grabowski, B.: Ab initio investigation of temperature-driven martensitic transformations: Case study for alkali earth metals. DFG-Nachwuchsakademie, Simonskall, Eifel, Germany (2009)
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