Publications of J. Neugebauer

Grabowski, B.; Glensk, A.; Korbmacher, D.; Huang, L.; Körmann, F.; Hickel, T.; Neugebauer, J.: First principles at finite temperatures: New approaches and massively parallel computations. CMSI International Symposium 2013: Extending the power of computational materials sciences with K-computer, Ito International Research Center, University of Tokyo, Japan (2013)

Hickel, T.; Nazarov, R.; Neugebauer, J.: Aspekte der Wasserstoffversprödung von Stählen: Verständnisgewinn durch quantenmechanische Simulationen. AKE Workshop, DECHEMA, Frankfurt a. M, Germany (2013)

Grabowski, B.; Huang, L.; Korbmacher, D.; Glensk, A.; Hickel, T.; Neugebauer, J.: Ab initio based thermodynamics of and phase transformations in Ti alloys. EUROMAT Conference, Sevilla, Spain (2013)

Dey, P.; Nazarov, R.; Friák, M.; Hickel, T.; Neugebauer, J.: kappa-carbides as precipitates in austenitic steels: Ab initio study of structural, magnetic and Interface properties. EUROMAT 2013, Sevilla, Spain (2013)

Neugebauer, J.: Ab initio based multiscale modeling of structural materials: From a predictive thermodynamic description to tailored mechanical properties. CECAM Conference, Platja d’Aro, Spain (2013)

Raabe, D.; Herbig, M.; Millán, J. C.; Ponge, D.; Li, Y.; Goto, S.; Sandlöbes, S.; Choi, P.-P.; Kirchheim, R.; Neugebauer, J.: Nanostructuring of bulk steels. International Conference on Computational Modeling of Nanostructured Materials - ICCMNM 2013, Frankfurt Institute for Advanced Studies, Frankfurt a. M., Germany (2013)

Dutta, B.; Körmann, F.; Dey, P.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends for phase transitions in magnetic shape memory alloys. Weekly Seminar, Interdisciplinary Centre for Advanced Materials Simulation (ICAMS), Ruhr-Universität Bochum, Bochum, Germany (2013)

Lymperakis, L.; Weidlich, P. H.; Eisele, H.; Schnedler, M.; Nys, J.-P.; Grandidier, B.; Stievenard, D.; Dunin-Borkowski, R.; Neugebauer, J.; Ebert, P.: Revealing Hidden Surface States of Non-Polar GaN Facets by an Ab Initio Tailored STM Approach. 10th International Conference on Nitride Semiconductors, Washigton DC, USA (2013)

Neugebauer, J.: Real Materials: Ab Initio Thermodynamics. Tutorial Workshop, Trieste, Italy (2013)

Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Hemzalová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Hild, S. et al.; Ziegler, A.; Neugebauer, J.: Nano-to-macro-scale modeling of hierarchical biocoposites. SPP 1420 Summer School, UIm, Germany (2013)

Friák, M.; Petrov, M.; Nikolov, S.; Sachs, C.; Fabritius, H. O.; Hemzalová, P.; Ma, D.; Lymperakis, L.; Raabe, D.; Janus, A. M. et al.; Hild, S.; Zigler, A.; Neugebauer, J.: Arthropod cuticle: A biological multi-functional composite used as template for nano-to-macro-scale hierarchical modeling. Seventh International Conference on Materials Structure and Micromechanics of Fracture, Brno, Czech Republic (2013)

Friák, M.; Sandlöbes, S.; Pei, Z.; Zhu, L.-F.; Dick, A.; von Pezold, J.; Zaefferer, S.; Hickel, T.; Yi, S.; Letzig, D. et al.; Sheng, H. W.; Race, C. P.; Leyson, G.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Combined theoretical and experimental studies of ductile Mg alloys. Seminar lecture at the Technical University Bergakademie Freiberg, Freiberg, Germany (2013)

Friák, M.; Sandlöbes, S.; Pei, Z.; Zhu, L.-F.; Dick, A.; Wang, F.; von Pezold, J.; Zaefferer, S.; Yi, S.; Letzig, D. et al.; Sheng, H. W.; Race, C. P.; Svendsen, B.; Raabe, D.; Neugebauer, J.: Combined theoretical and experimental studies of ductile Mg alloys. International Symposium on Atomistic Modeling for Mechanics, Tokyo, Japan (2013)

Herbig, M.; Goto, S.; Li, Y.; Choi, P.; Zaefferer, S.; Nematollahi, A.; Kirchheim, R.; Nikolov, S.; Friák, M.; Borchers, C. et al.; Neugebauer, J.; Raabe, D.: Nanostructures in 1 Billon Tons: Interface Engineering in Complex Steels and Biological Nanocomposites. Materialwissenschaftliches Kolloquium, Universität Hamburg-Harburg, Hamburg, Germany (2013)

Neugebauer, J.: Stahldesign in der Wunderwelt der Quantenmechanik. Tag der Offenen Tür, MPI für Eisenforschung GmbH, Düsseldorf, Germany (2013)

Raabe, D.; Springer, H.; Eisenlohr, P.; Tasan, C. C.; Gutiérrez-Urrutia, I.; Choi, P.; Roters, F.; Zaefferer, S.; Koyama, N.; Kirchheim, R. et al.; Li, Y.; Neugebauer, J.: Nanostructuring 1 Billion Tons: Combining Rapid Alloy Prototyping, Multiscale Models, and Characterization for Advanced Manufacturing. 2nd World Congress on Integrated Computational Materials Engineering, Salt Lake City, UT, USA (2013)

Dutta, B.; Hickel, T.; Neugebauer, J.: Ab-initio based prediction of chemical trends in magnetic shape memory alloys. Mini Workshop on Lattice Dynamics, Uppsala University, Uppsala, Sweden (2013)

Vatti, A. K.; Todorova, M.; Neugebauer, J.: Modelling Mica from first-principles. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)

Dutta, B.; Hickel, T.; Neugebauer, J.: Phase transitions in magnetic shape memory alloys: Ab-initio based prediction of chemical trends. Fourth International Conference on Ferromagnetic Shape Memory Alloys (ICFSMA'13), Boise, ID, USA (2013)

Ilhan, M.; Todorova, M.; Neugebauer, J.: Adsorption of H, S, and O on the Iron (100) surface. 1st Dutch/German Workshop on Computational Materials Design, Balk, The Netherlands (2013)