Publications

Publications

Journal Article (1)

  1. 1.
    Journal Article
    Grabowski, B.; Hickel, T.; Neugebauer, J.: Ab initio study of the thermodynamic properties of nonmagnetic elementary fcc metals: Exchange-correlation-related error bars and chemical trends. Physical Review B 76 (2), 024309 (2007)

Talk (27)

  1. 2.
    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. 3.
    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. 4.
    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. 5.
    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. 6.
    Talk
    Hickel, T.: Magnetic effects in solids: Results of analytical considerations. PAW workshop 2007, Goslar, Germany (2007)
  6. 7.
    Talk
    Ismer, L.; Hickel, T.; Neugebauer, J.: Hydrogen in Mn-rich steels. PAW workshop 2007, Goslar, Germany (2007)
  7. 8.
    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. 9.
    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. 10.
    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. 11.
    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. 12.
    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. 13.
    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. 14.
    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. 15.
    Talk
    Hickel, T.: Research at the department of Computational Materials Design. Guided Tour through the MPIE, MPIE (2007)
  15. 16.
    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. 17.
    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. 18.
    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. 19.
    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. 20.
    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)
 
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