Publications

Talk (385)

1. 461.
   MPG.PuRe
   Talk

   Hickel, T.; Dick, A.; Körmann, F.; Grabowski, B.; Neugebauer, J.: Ab initio steel design: Achievements and challenges. Scientific Advisory Board Meeting 2009, MPI für Eisenforschung GmbH, Düsseldorf, Düsseldorf, Germany (2009)
2. 462.
   MPG.PuRe
   Talk

   Hickel, T.: First principles determination of thermodynamic properties in metals. ICAMS Monday Seminar, ICAMS Bochum, Germany (2009)
3. 463.
   MPG.PuRe
   Talk

   Hickel, T.: Computational Phase Studies: Deriving free energies and phase transitions from first principles. MRS 2009 Fall Meeting, Boston, MA, USA (2009)
4. 464.
   MPG.PuRe
   Talk

   Hickel, T.; Neugebauer, J.: Ab-initio simulation of hydrogen in metals. ICAMS Seminar, ICAMS Bochum, Germany (2008)
5. 465.
   MPG.PuRe
   Talk

   Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Understanding the phase transformations of the Ni2MnGa shape memory system. (2008)
6. 466.
   MPG.PuRe
   Talk

   Marquardt, O.; Hickel, T.; Neugebauer, J.: Modeling of electronic and optical properties of GaN/AlN quantum dots by using the k.p-method. Bremen DFG Forschergruppe: Workshop in Riezlern, Riezlern, Austria (2008)
7. 467.
   MPG.PuRe
   Talk

   Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Mechanical Properties of FeMn-Alloys. Workshop des SFB761, Beilngries, Germany (2008)
8. 468.
   MPG.PuRe
   Talk

   Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Calculation of Stacking Fault Energies of FeMn-Alloys. Materials Science and Engineering (MSE08), Nürnberg, Germany (2008)
9. 469.
   MPG.PuRe
   Talk

   Hickel, T.; Grabowski, B.; Körmann, F.; Uijttewaal, M.; Dick, A.; Neugebauer, J.: First principles determination of thermodynamic properties of metals. Materials Science and Engineering (MSE08), Nürnberg, Germany (2008)
10. 470.
    MPG.PuRe
    Talk

    Aydin, U.; Ismer, L.; Hickel, T.: Ab initio study of trends in the thermodynamic and kinetic properties of H in 3d transition metals. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
11. 471.
    MPG.PuRe
    Talk

    Dick, A.; Hickel, T.; Neugebauer, J.: First Principles Predictions of Mechanical Properties of FeMn-Alloys. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
12. 472.
    MPG.PuRe
    Talk

    Ismer, L.; Ireta, J.; Neugebauer, J.: First principles study of vibrational and thermodynamic properties of the secondary structure of proteins. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
13. 473.
    MPG.PuRe
    Talk

    Körmann, F.; Dick, A.; Grabowski, B.; Hickel, T.; Neugebauer, J.: The free energy of bcc iron: Integrated ab initio derivation of vibrational, electronic, and magnetic contributions. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
14. 474.
    MPG.PuRe
    Talk

    Marquardt, O.; Hickel, T.; Neugebauer, J.: Effect of strain and polarization on the electronic properties of 2-, 1- and 0-dimensional semiconductor nanostructures. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
15. 475.
    MPG.PuRe
    Talk

    Uijttewaal, M.; Hickel, T.; Neugebauer, J.: Phase transformations of Ni₂MnGa shape memory alloy from first principles: The (pre-)martensitic transition by phonons and magnons, Soft mode phase transformation by phonon couplings. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
16. 476.
    MPG.PuRe
    Talk

    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: An efficient thermodynamic integration scheme. Computational Materials Science Workshop, Ebernburg Castle, Germany (2008)
17. 477.
    MPG.PuRe
    Talk

    Hickel, T.; Uijttewaal, M.; Grabowski, B.; Neugebauer, J.: First principles determination of phase transitions in magnetic shape memory alloys. XXI Congress of the International Union of Crystallography, Osaka, Japan (2008)
18. 478.
    MPG.PuRe
    Talk

    Marquardt, O.; Hickel, T.; Neugebauer, J.: Neues Licht aus künstlichen Atomen - Halbleiterquantenpunkte. Schulvortrag zur Jahrestagung der MPG, Dresden, Germany (2008)
19. 479.
    MPG.PuRe
    Talk

    Friák, M.; Sob, M.; Kim, O.; Ismer, L.; Neugebauer, J.: Ab initio study of the alpha-iron stability limits. Ab initio Description of Iron and Steel: Magnetism and Phase diagrams (ADIS 2008), Ringberg castle, Tegernsee, Germany (2008)
20. 480.
    MPG.PuRe
    Talk

    Grabowski, B.; Ismer, L.; Hickel, T.; Neugebauer, J.: Ab initio up to the melting point: Influence of vacancies and explicit anharmonicity. International Workshop on Ab initio Description of Iron and Steel (ADIS2008), Ringberg Castle, Germany (2008)