Publications of J. Neugebauer

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)

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)

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)

Neugebauer, J.: Computing free energy contributions of point defects. ECAM conference: Which Electronic Structure Method for the Study of Defects?, Lausanne, Switzerland (2009)

Neugebauer, J.: Materials Design Based On Ab Initio Thermodynamics And Kinetics: Present Status And Perspectives. Colloquium at Universität Gießen, Gießen, Germany (2009)

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)

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)

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)

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)

Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Stacking Fault Properties in FeMn Alloys. Asia Steel Conference 2009, Busan, South Korea (2009)

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)

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)

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)

Neugebauer, J.; Wuppermann, C.-D.: Challenge and opportunities for the European Steel Industry. Asia Steel Conference, Busan, South Korea (2009)

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)

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)

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)

Aydin, U.; Ismer, L.; Hickel, T.; Neugebauer, J.: Universal trends for the solubility of hydrogen in non-magnetic 3d transition metals derived from first principles. DPG Spring meeting, Dresden, Germany (2009)

Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity and vacancies in aluminum. DPG Früjahrstagung, Dresden, Germany (2009)

Hickel, T.; Uijttewaal, M.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. DPG Spring Meeting 2009, Dresden, Germany (2009)