Talk (1155)

1221.
Talk
Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A Quantum-Mechanical Study. CM-Workshop, Attendorn, Germany (2011)
1222.
Talk
Körmann, F.; Dick, A.; Hickel, T.; Neugebauer, J.: Magnetic systems studied by first-principles thermodynamics. CM Workshop, Akademie Biggesee, Attendorn, Germany (2011)
1223.
Talk
Nazarov, R.; Hickel, T.; Neugebauer, J.: Thermodynamics and kinetics of hydrogen interaction with point defects. CM-Workshop, Attendorn, Germany (2011)
1224.
Talk
Todorova, M.; Neugebauer, J.: Role of vibrational contributions for the elastic properties of hexagonal ice. CM-Workshop, Attendorn, Germany (2011)
1225.
Talk
Zhu, L.-F.; Friák, M.; Dick, A.; Udyansky, A.; Neugebauer, J.: First principles study on Fe-Ti alloys. CM-Workshop, Attendorn, Germany (2011)
1226.
Talk
Fabritius, H.; Nikolov, S.; Hild, S.; Ziegler, A.; Friák, M.; Neugebauer, J.; Raabe, D.: Design principles of crustacean cuticle: From molecules to skeletal elements. Workshop „From Nanoparticle Assembly to Functional Polymer Components” at Department of Geo- and Environmental Sciences, LMU, München, Germany (2011)
1227.
Talk
Glensk, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Anharmonicity in copper. CM-Workshop, Attendorn, Germany (2011)
1228.
Talk
Neugebauer, J.: Ab initio guided design of materials with superior mechanical properties. Colloquium, Institut für Technologie, Karlsruhe, Germany (2011)
1229.
Talk
Elstnerová, P.; Friák, M.; Neugebauer, J.: Enhancing mechanical properties of calcite by Mg substitutions - A Quantum-Mechanical Study. Multi-Scale Mechanics of Biological and Bio-Inspired Hierarchical Materials and Surfaces, Glasgow, UK (2011)
1230.
Talk
Hickel, T.; Grabowski, B.; Nazarov, R.; Sandschneider, N.; Neugebauer, J.: Ab initio determination of point defects and derived diffusion properties in metals. 3rd Sino-German Symposium, Xi’an, Shaanxi, China (2011)
1231.
Talk
Neugebauer, J.: Ab initio thermodynamics: From catalytic surfaces to high-strength steels. FIESTAE Symposium, Berlin, Germany (2011)
1232.
Talk
Neugebauer, J.: Thermodynamic data from first principles: Achievements and challenges. Sino-German Symposium, Xi-an, China (2011)
1233.
Talk
Neugebauer, J.: Ab initio description of alloying effects on extended defects and interfaces. Alemi Workshop, Vancouver, BC, Canada (2011)
1234.
Talk
Todorova, M.: Stability of polar ZnO(0001) surfaces in dry and humid atmosphere. TYC Workshop ''Thermodynamics and kinetics of dopants, defects and adatoms at surfaces'' at University College London, London, UK (2011)
1235.
Talk
Hickel, T.; Grabowski, B.; Körmann, F.; Dick, A.; Neugebauer, J.: Computational Phase Studies: Deriving free energies and phase transitions from first principles. CECAM workshop 442: Materials Informatics: Tools for Design and Discovery, Lausanne, Switzerland (2011)
1236.
Talk
Dick, A.; Körmann, F.; Abbasi, A.; Hickel, T.; Neugebauer, J.: Towards an ab initio based understanding of deformation mechanisms in high-manganese Steels. 1st Int. Conf. on High Manganese Steels, Seoul, South Korea (2011)
1237.
Talk
Haghighat, S. M. H.; Friak, M.; Zhu, L.-F.; von Pezold, J.; Schäublin, J.; Neugebauer, J.; Raabe, D.: Study of iron EAM potentials and their effects on dislocation dynamic. E-MRS Spring Meeting, Nice, France (2011)
1238.
Talk
Neugebauer, J.: Overview of fundamentals of first principle calculation methods. Workshop, Rio de Janeiro, Brazil (2011)
1239.
Talk
Neugebauer, J.: Accuracy and limitations of ab initio approaches in predicting free energies for binaries and unstable phases. CALPHAD Workshop, Rio de Janeiro, Brazil (2011)
1240.
Talk
Neugebauer, J.: Ab initio guided design of materials for photonic applications. Colloquium at Tyndall University, Cork, Ireland (2011)
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