Talk (1232)

1801.
Talk
Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. MMM Workshop, Barcelona, Spain (2007)
1802.
Talk
Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Ab initio prediction of structural and thermodynamic properties of metals. International Max-Planck Workshop on Multiscale Materials Modeling of Condensed Matter, Sant Feliu de Guixols, Spain (2007)
1803.
Talk
Friák, M.; Neugebauer, J.: Anomalous equilibrium volume change of magnetic Fe–Al crystals. Materials Research Society fall meeting, Boston, MA, USA (2006)
1804.
Talk
Raabe, D.; Sander, B.; Friák, M.; Neugebauer, J.: Bottom up design of novel Titanium-based biomaterials through the combination of ab-initio simulations and experimental methods. Materials Research Society fall meeting, Boston, MA, USA (2006)
1805.
Talk
Neugebauer, J.: Ab initio modellation of crystal growth. Polkom-Workshop, Dresden, Germany (2006)
1806.
Talk
Abu-Farsakh, H.; Neugebauer, J.: Tailoring the N-solubility in InGaAs-alloys by surface engineering: Applications and limits. 1. Harzer Ab initio Workshop, Clausthal, Germany (2006)
1807.
Talk
Friák, M.; Neugebauer, J.: Ab initio study of human-bone-matched titanium alloys. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld, Germany (2006)
1808.
Talk
Grabowski, B.: PAW calculations of thermodynamic properties of metals: xc-related error bars and chemical trends. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld, Germany (2006)
1809.
Talk
Hickel, T.: Temperature dependent properties of magnetic shape memory alloys. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)
1810.
Talk
Ismer, L.; Ireta, J.; Neugebauer, J.: Vibrational modes and thermodynamic properties of the secondary structure of proteins. 1. Harzer Ab initio Workshop, Clausthal (2006)
1811.
Talk
Neugebauer, J.; Wahn, M.: Exact exchange within Kohn-Sham formalism. Standard and variational approach. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)
1812.
Talk
Petrov, M.: Theoretical elastic constants of α-chitin. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld (2006)
1813.
Talk
Hickel, T.; Neugebauer, J.: Ab initio description of grain boundaries and diffusion processes. Arbeitstreffen der Helmholtz-Allianz „HYPER“,, Darmstadt (2006)
1814.
Talk
Hickel, T.; Neugebauer, J.: Variation of empirical potentials using ab initio methods. Arbeitstreffen der Helmholtz-Allianz „HYPER“, Darmstadt (2006)
1815.
Talk
Lymperakis, L.: Ab-initio based multiscale caclulations of Grain Boundaries in aluminum. 1. Harzer Ab initio Workshop, Clausthal-Zellerfeld, Germany (2006)
1816.
Talk
Grabowski, B.: Ab Initio Calculation of Thermodynamic Properties: Comparison to Experiment and CALPHAD. ThermoCalc Workshop, Aachen, Germany (2006)
1817.
Talk
Hickel, T.; Neugebauer, J.: Ab initio Thermodynamik und Kinetik. Arbeitstreffen des SFB 761, Aachen, Germany (2006)
1818.
Talk
Grabowski, B.: Quantum mechanics meets steel: Was uns moderne Simulationsprogramme über Stahl und Eisen verraten. Schülertag, MPIE, Düsseldorf, Germany (2006)
1819.
Talk
Marquardt, O.: Optical properties of semiconductor quantum dots and wires. EW3NS, Heraklion, Kreta (2006)
1820.
Talk
Hickel, T.; Grabowski, B.; Neugebauer, J.: Temperature dependent properites of Ni2MnGa – An ab initio approach -. European Symposium on Martensitic Transformations (ESOMAT), Bochum (2006)
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