Publications

Publications

Talk (16)

  1. 1.
    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. 2.
    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. 3.
    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. 4.
    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. 5.
    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)
  6. 6.
    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)
  7. 7.
    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)
  8. 8.
    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)
  9. 9.
    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)
  10. 10.
    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)
  11. 11.
    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)
  12. 12.
    Talk
    Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Ab initio determination of symmetry-reduced structures by a soft-phonon analysis in Ni_{2}MnGa. Spring meeting of the German Physical Society (DPG), Regensburg, Germany (2007)
  13. 13.
    Talk
    Hickel, T.; Grabowski, B.; Uijttewaal, M.; Neugebauer, J.: Ab initio prediction of structural and thermodynamic properties of magnetic shape memory alloys. Focus meeting of the SPP 1239: Fundamentals of the Magnetic Shape Memory Effect: Materials properties & simulations, Schloss Ringberg, Germany (2007)
  14. 14.
    Talk
    Hickel, T.; Grabowski, B.; Neugebauer, J.: Ab initio prediction of structural and thermodynamic properties of metals. Seminar Abt. Jansen, MPI für Festkörperforschung, Stuttgart, Germany (2007)
  15. 15.
    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)
  16. 16.
    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)

Poster (5)

  1. 17.
    Poster
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: A first principle determination of phase transitions in magnetic shape memory alloys. Multiscale approach to alloys: Advances and challenges, Stockholm, Sweden (2007)
  2. 18.
    Poster
    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: Determination of symmetry reduced structures by a soft-phonon analysis in magnetic shape memory alloys. Theory meets industry. The impact of density-functional calculation on materials science, Vienna, Austria (2007)
  3. 19.
    Poster
    Uijttewaal, M.; Grabowski, B.; Hickel, T.; Neugebauer, J.: Towards an ab initio determination of the phase transformations of Ni2MnGa. Fokus-Treffen of the SPP 1239, Schloss Ringberg, Germany (2007)
  4. 20.
    Poster
    Grabowski, B.; Hickel, T.; Neugebauer, J.: Accuracy and error bars of DFT calculated thermodynamic properties for elementary metals. 13th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods, Trieste, Italy (2007)
 
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