Talk (1236)

1101.
Talk
Neugebauer, J.: Ab initio description of finite temperature phase stabilities and transformations. PTM Conference, Whistler, BC, Canada (2015)
1102.
Talk
Neugebauer, J.: Ab initio computation of free energies up to the melting point: Status and challenges. Symposium in Uppsala, Uppsala, Sweden (2015)
1103.
Talk
Vatti, A. K.; Todorova, M.; Neugebauer, J.: Formation Energy of ions in water: An ab initio molecular dynamics study. 2nd German-Austrian Workshop on "Computational Materials Science on Complex Energy Landscapes", Kirchdorf, Austria (2015)
1104.
Talk
Zendegani, A.; Körmann, F.; Hickel, T.; Hallstedt, B.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q phase in Al–Cu–Mg–Si. Calphad XLIV, Loano, Italy (2015)
1105.
Talk
Zendegani, A.; Körmann, F.; Hickel, T.; Neugebauer, J.: First-principles study of thermodynamic properties of the Q-phase in Al–Cu–Mg–Si. 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
1106.
Talk
Zhang, X.; Hickel, T.; Rogal, J.; Drautz, R.; Neugebauer, J.: Atomistic origin of structural modulations in Fe ultrathin films on Cu(001). 2nd German-Austrian Workshop, Kirchdorf, Austria (2015)
1107.
Talk
Hickel, T.: Understanding complex materials at finite temperatures by ab inito methods. Colloquium at Institut für Materialwissenschaft, Universtität Stuttgart, Stuttgart, Germany (2014)
1108.
Talk
Todorova, M.: Stability and defect chemistry of zinc oxide in contact with an electrochemical environment: An ab initio approach. Helmholtz-Zentrum Berlin , Berlin, Germany (2014)
1109.
Talk
Fabritius, H.-O.; Janus, A. M.; Wu, X.; Nikolov, S.; Eisenlohr, P.; Friák, M.; Neugebauer, J.; Raabe, D.: Structure-property Relations in the Arthropod Exoskeleton, a Multifunctional Biological Composite. Materials Science & Technology (MS&T) 2014, Pittsburgh, PA, USA (2014)
1110.
Talk
Haghighat, S. M. H.; Schäublin, R.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Roters, F.; Raabe, D.: Atomistic study of dislocation mobility and obstacle hardening in bcc-Fe: versatility of embedded atom method potentials. MMM2014, 7th International Conference on Multiscale Materials Modeling , Berkeley, CA, USA (2014)
1111.
Talk
Raabe, D.; Ponge, D.; Gutiérrez-Urrutia, I.; Springer, H.; Kuzmina, M.; Hickel, T.; Welsch, E.; Haghighat, S. M. H.; Sandlöbes, S.; Choi, P.-P. et al.; Neugebauer, J.: Designing bulk nanostructured high manganese steels by intregrating advanced characteriation and ab initio modeling. 2nd International Conference on High Manganese Steels - HMnS 2014, Aachen, Germany (2014)
1112.
Talk
Hickel, T.; Glensk, A.; Nazarov, R.; Sözen, H. I.; Grabowski, B.; Neugebauer, J.: Ab initio determination of point defects and derived diffusion properties in metals. International conference on diffusion in materials, DIMAT2014, Münster, Germany (2014)
1113.
Talk
Kuzmina, M.; Ponge, D.; Bleskov, I.; Raabe, D.: Study of equilibrium segregation of Mn and reversion of austenite in tempered medium Mn steels and its influence on impact toughness. 2nd International Conference on High Manganese Steels - HMnS 2014, Aachen, Germany (2014)
1114.
Talk
Todorova, M.: Connecting defect chemistry in semiconductors and electrochemistry. ICMR Workshop on Ab-initio description of charged systems and solid/liquid interfaces for semiconductors and electrochemistry, University of California, Santa Barbara, CA, USA (2014)
1115.
Talk
Haghighat, S. M. H.; Raabe, D.; von Pezold, J.; Race, C. P.; Körmann, F.; Friák, M.; Schäublin, R.; Neugebauer, J.; Eggeler, G. F.: Recent development of modelling techniques in nano- and meso-scale simulations of dislocation dynamics. Workshop on Integrated Computational Materials Engineering (ICME), Rolduc Abbey, The Netherlands (2014)
1116.
Talk
Neugebauer, J.: Efficient coarse graining of stochastic high-dimensional configuration spaces as fundament for a fully ab initio based materials design. Colloquium WIAS, Berlin, Germany (2014)
1117.
Talk
Todorova, M.: Ab-initio study on liquid metal embrittlement in the Fe/Zn System. Workshop, Lake Arrowhead, CA, USA (2014)
1118.
Talk
Todorova, M.: Stability and defect chemistry of oxides in contact with an electrochemical environment: An ab initio approach. Talk at University of California, Santa Barbara, CA, USA (2014)
1119.
Talk
Hickel, T.: Ab initio basierte Methoden der mechanismen-orientierten Werkstoffentwicklung. Colloquium at Salzgitter-Mannesmann-Forschung GmbH, Duisburg, Germany (2014)
1120.
Talk
Hickel, T.; Nazarov, R.; McEniry, E.; Chakrabarty, A.; Dey, P.; Aydin, U.; Leyson, G.; Grabowski, B.; Neugebauer, J.: Ab initio based understanding of the segregation and diffusion mechanisms of hydrogen in steels. SteelyHydrogen 2014, International conference on hydrogen in steels, Ghent, Belgium (2014)
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