Talk (82)
81.
Talk
Ab initio description of alloying effects on extended defects and interfaces. Alemi Workshop, Vancouver, BC, Canada (2011)
82.
Talk
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)
83.
Talk
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)
84.
Talk
Towards an ab initio based understanding of deformation mechanisms in high-manganese Steels. 1st Int. Conf. on High Manganese Steels, Seoul, South Korea (2011)
85.
Talk
Study of iron EAM potentials and their effects on dislocation dynamic. E-MRS Spring Meeting, Nice, France (2011)
86.
Talk
Overview of fundamentals of first principle calculation methods. Workshop, Rio de Janeiro, Brazil (2011)
87.
Talk
Accuracy and limitations of ab initio approaches in predicting free energies for binaries and unstable phases. CALPHAD Workshop, Rio de Janeiro, Brazil (2011)
88.
Talk
Ab initio guided design of materials for photonic applications. Colloquium at Tyndall University, Cork, Ireland (2011)
89.
Talk
A Detailed Investigation of Native and Light-induced Defects in Hydrogenated Amorphous Silicon by Electron-spin Resonance. MRS Spring Meeting and Exhibit 2011, San Francisco, CA, USA (2011)
90.
Talk
Thermodynamics and Kinetics of Superabundant Vacancies in fcc Metals. MRS 2011 Spring Meeting, San Francisco, CA, USA (2011)
91.
Talk
Enhancing mechanical properties of calcite by Mg substitutions - A quantum-mechanical study. EuroBioMat - European Symposium on Biomaterials and Related Areas, Jena, Germany (2011)
92.
Talk
Fully Ab Initio Description of Point Defect Formation and Properties at Extreme Temperatures. MRS 2011 Spring Meeting, San Francisco, CA, USA (2011)
93.
Talk
EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. APS march meeting 2011, Dallas, TX, USA (2011)
94.
Talk
Hydrogen adsorption on polar ZnO(0001)–Zn - Extending equilibrium surface phase diagrams to kinetically stabilised structures. March meeting of the American Physical Society (APS), Dallas, TX, USA (2011)
95.
Talk
Hydrogen solution enthalpies derived from first principles: Chemical trends along the series of transition metals. DPG Frühjahrstagung 2011, Dresden, Germany (2011)
96.
Talk
Quasiparticle band offsets at heterojunctions from GW superlattice calculations. DPG Frühjahrstagung 2011, Dresden, Germany (2011)
97.
Talk
Ab initio prediction of thermodynamic data for selected phases of the Al–Mg–Si–Cu system. DPG conference, Dresden, Germany (2011)
98.
Talk
Finite temperature magnetism combining first-principles and spin Quantum Monte Carlo. DPG Frühjahrstagung, 2011, Dresden, Germany (2011)
99.
Talk
Superabundant vacancies in fcc metals: A combination of ab-initio, thermodynamic and kinetics approaches. DPG 2011 Meeting, Dresden, Germany (2011)
100.
Talk
EPR parameters of the dangling bond defect in crystalline and amorphous silion: A DFT-study. DPG spring meeting 2011, Dresden, Germany (2011)