Vienna Graduate School on Computational Materials Science

Karsten Held
TU Wien (Technische Universität Wien)
Institut für Festkörperphysik, E138/E136/E134

VSC project / type: 70240 / funded

VSC-1 / status: 2012-01-02 - 2015-01-03 / finished
VSC-2 / status: 2012-01-02 - 2016-01-02 / finished

This is the parent project of the following
SUBPROJECTS:

  • 70275: Multiscale Simulations of Magnetic Structures and Rare Magentic Events
    Christoph Vogler, TU Wien, Institut für Analysis und Scientific Computing;Institut für Festkörperphysik, E138

  • 70269: Atomistic scale simulation of precipitate nucleation process in alloys
    Alice Redermeier, TU Wien, Institut für Werkstoffwissenschaft und Werkstofftechnologie, E308 - Institut für Werkstoffwissenschaft und Werkstofftechnologie

  • 70268: CMS-Blaha
    Peter Blaha, TU Wien, Institut für Materialchemie, 165

  • 70233: TU DK (Teilprojekt Held)
    Karsten Held, TU Wien, Institut für Festkörperphysik, 138

Publications:

  • Vogler Christoph, Abert Claas, Bruckner Florian, Suess Dieter
    Landau-Lifshitz-Bloch equation for exchange-coupled grains
    PHYSICAL REVIEW B 90, 4431 (2014)
    VSC project: 70275

  • Vogler Christoph, Bruckner Florian, Bergmair Bernhard, Huber Thomas, Suess Dieter, Dellago Christoph
    Simulating rare switching events of magnetic nanostructures with forward flux sampling
    PHYSICAL REVIEW B 88, 134409 (2013)

  • Bliem Roland, Kosak Rukan, Perneczky Lukas, Novotny Zbynek, Gamba Oscar, Fobes David, Mao Zhiqiang, Schmid Michael, Blaha Peter, Diebold Ulrike, Parkinson Gareth S.
    Cluster Nucleation and Growth from a Highly Supersaturated Adatom Phase: Silver on Magnetite
    ACS NANO 8, 7531 (2014)

  • Troester A., Schranz W., Karsai F., Blaha P.
    Fully Consistent Finite-Strain Landau Theory for High-Pressure Phase Transitions
    PHYSICAL REVIEW X 4, 031010 (2014)

  • Fabien Tran, Karsai Ferenc, Blaha Peter
    Nonmagnetic and ferromagnetic fcc cerium studied with one-electron methods
    PHYSICAL REVIEW B 89, 155106 (2014)

  • Karsai Ferenc, Tiwald Paul, Laskowski Robert, Tran Fabien, Koller David, Graefe Stefanie, Burgdoerfer Joachim, Wirtz Ludger, Blaha Peter
    F center in lithium fluoride revisited: Comparison of solid-state physics and quantum-chemistry approaches
    PHYSICAL REVIEW B 89, 125429 (2014)

  • Rocquefelte Xavier, Schwarz Karlheinz, Blaha Peter, Kumar Sanjeev, van den Brink Jeroen
    Room-temperature spin-spiral multiferroicity in high-pressure cupric oxide
    NATURE COMMUNICATIONS 4, 2511 (2013)

  • Parkinson Gareth S., Novotny Zbynek, Argentero Giacomo, Schmid Michael, Pavelec Jiri, Kosak Rukan, Blaha Peter, Diebold Ulrike
    Carbon monoxide-induced adatom sintering in a Pd-Fe3O4 model catalyst
    NATURE MATERIALS 12, 724 (2013)



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