Publications

Talk (379)

1. 481.
   MPG.PuRe
   Talk

   Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Phonon Workshop, Krakau, Poland (2007)
2. 482.
   MPG.PuRe
   Talk

   Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. 2nd Workshop on ab initio phonon calculations, Cracow, Poland (2007)
3. 483.
   MPG.PuRe
   Talk

   Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles Determination of Phase Transitions in Magnetic Shape Memory Alloys. MRS Fall Meeting 2007, Boston, MA, USA (2007)
4. 484.
   MPG.PuRe
   Talk

   Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. PAW workshop 2007, Goslar, Germany (2007)
5. 485.
   MPG.PuRe
   Talk

   Hickel, T.: Magnetic effects in solids: Results of analytical considerations. PAW workshop 2007, Goslar, Germany (2007)
6. 486.
   MPG.PuRe
   Talk

   Ismer, L.; Hickel, T.; Neugebauer, J.: Hydrogen in Mn-rich steels. PAW workshop 2007, Goslar, Germany (2007)
7. 487.
   MPG.PuRe
   Talk

   Marquardt, O.; Hickel, T.; Neugebauer, J.: A plane-wave approach to real-space properties of semiconductor nanostructures: Electronic states, strain profiles and piezoelectric fields. PAW workshop 2007, Goslar, Germany (2007)
8. 488.
   MPG.PuRe
   Talk

   Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformation of Ni_2MnGa shape memory alloy from first principles: The pre-martensitic transition. PAW workshop 2007, Goslar, Germany (2007)
9. 489.
   MPG.PuRe
   Talk

   Uijttewaal, M.; Hickel, T.; Grabowski, B.; Neugebauer, J.: First ab initio determination of the phase transformation of Ni_{2}MnGa: The pre-martensitic transition. e-MRS 2007 Fall Meeting, Warsaw, Poland (2007)
10. 490.
    MPG.PuRe
    Talk

    Grabowski, B.; Hickel, T.; Neugebauer, J.: From ab initio to materials properties: Accuracy and error bars of DFT thermodynamics. Euromat 2007, European Congress on Advanced Materials and Processes, Nürnberg, Germany (2007)
11. 491.
    MPG.PuRe
    Talk

    Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Ab initio prediction of structural and thermodynamic properties of magnetic shape memory alloys. Euromat 2007, European Congress on Advanced Materials and Processes, Nürnberg, Germany (2007)
12. 492.
    MPG.PuRe
    Talk

    Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Ab initio investigation of temperature dependent effects in Ni_{2}MnGa: The pre-martensitic transition. Convention of the SPP 1239, Castle Eichholz in Wesseling, Germany (2007)
13. 493.
    MPG.PuRe
    Talk

    Hickel, T.: Research at the department of Computational Materials Design. Visit of the Steering Committee of IISI project “India 2020”, MPIE Duesseldorf, Germany (2007)
14. 494.
    MPG.PuRe
    Talk

    Hickel, T.: Research at the department of Computational Materials Design. Guided Tour through the MPIE, MPIE (2007)
15. 495.
    MPG.PuRe
    Talk

    Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Determination of symmetry-reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Physics Seminar of Loughborough University, Loughborough, UK (2007)
16. 496.
    MPG.PuRe
    Talk

    Marquardt, O.; Hickel, T.; Neugebauer, J.: Application of the 8-band k.p-formalism to semiconductor nanostructures. Forschergruppentreffen Uni Bremen, Bremen, Germany (2007)
17. 497.
    MPG.PuRe
    Talk

    Hickel, T.; Grabowski, B.; Neugebauer, J.; Marquardt, O.: Department of Computational Materials Design: Present activities and future research. Guided tour in the MPIE of IMPRS-SurMat, Duesseldorf, Germany (2007)
18. 498.
    MPG.PuRe
    Talk

    Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio calculation of free energies and thermodynamic properties of fcc metals. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
19. 499.
    MPG.PuRe
    Talk

    Ismer, L.; Ireta, J.; Neugebauer, J.: Why are pi-helices so seldomly observed in proteins. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
20. 500.
    MPG.PuRe
    Talk

    Marquardt, O.; Hickel, T.; Grabowski, B.; Boeck, S.; Neugebauer, J.: Implementation and application of the k.p-formalism to electronic structure and Coulomb matrix elements. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)