Computational Materials Physics

Activities

Activities per year 1986 2006 2008 2009 2010 2012 2014 2015 2016 2017 2018 2023

• 623 Talk or oral contribution
• 176 Poster presentation
• 30 Organisation of ...
• 22 Participation in ...
• 41 More
  • 15 Publication peer-review
  • 14 Research
  • 5 Other
  • 3 Editor of journal or series
  • 3 Teaching
  • 1 Research organization

Activities per year

Search results

• Modeling catalytic processes with VASP

  Juergen Hafner (Invited speaker)

  16 Jan 2008

  Activity: Talks and presentations › Talk or oral contribution › Other

• Decomposition of N2O over Fe2+ exchanged ferrierite. Thermodynamic integration of the reaction path.

  Lubomir Benco (Contributor), Tomas Bucko (Contributor), Robert Grybos (Contributor) & Juergen Hafner (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Description of Active Sites Present at the (011)MoO2 Surface. Periodic and Cluster DFT Quantum Chemical Studies.

  Renata Tokarz-Sobieraj (Contributor), Robert Grybos (Contributor) & Malgorzata Witko (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Ab initio study of structural and magnetic properties of manganese nanowires from one to three dimensions

  Martin Zeleny (Contributor), Mojmir Sob (Contributor) & Juergen Hafner (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Theoretical Description of Properties of Active Sites at the (011)MoO2 Surface

  Renata Tokarz-Sobieraj (Contributor), Robert Grybos (Contributor) & Malgorzata Witko (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Hybrid functionals applied to Mn doped III-V semiconductors

  Alessandro Stroppa (Contributor) & Georg Kresse (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• N2O decomposition on iron exchanged ferrierite. A combined periodic DFT and static IN-SITU FTIR study.

  Štepán Sklenak (Contributor), Zdenek Sobalik (Contributor), Zdenka Tvaruzkova (Contributor), Bavornpon Jansang (Contributor), Chengbin Li (Contributor), Fei Gao (Contributor), Bundet Boekfa (Contributor), Lubomir Benco (Contributor), Tomas Bucko (Contributor) & Juergen Hafner (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Hybrid functional studies on SrTiO3.

  Georg Kresse (Contributor) & Roman Wahl (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Hybrid functional studies on SrTiO3.

  Georg Kresse (Contributor) & Roman Wahl (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• NO adsorption on palladium clusters in mordenite

  Robert Grybos (Contributor), Juergen Hafner (Contributor) & Lubomir Benco (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Domain wall formation and spin-wave spectra in ultrathin magnetic films: Fe monolayer on W(110)

  Laszlo Szunyogh (Contributor), Laszlo Udvardi (Contributor) & Jan Zabloudil (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• NO adsorption on palladium clusters in mordenite

  Juergen Hafner (Contributor) & Lubomir Benco (Contributor)

  2008

  Activity: Talks and presentations › Poster presentation › Science to Science

• Lattice dynamics of the group IV semiconductors: An ab initio study using screened hybrid functionals

  Kerstin Hummer (Speaker)

  7 Dec 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Vortrag auf Kongress: Seminar d.AG Oberflächen- und Grenzflächenphysik (Univ. Graz)

  Florian Mittendorfer (Invited speaker)

  6 Nov 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Nonlinear behavior of the energy gap of Pb_{1-x}Eu_{x}Se from first-principles

  Kerstin Hummer (Speaker)

  19 Oct 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Transport and fluctuations on surfaces : From nanosystems to global systems

  Lorenz-Mathias Stadler (Speaker)

  2 Sept 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Vortrag auf Kongress: Elementary Reactive Processes at Surfaces

  Florian Mittendorfer (Speaker)

  30 Aug 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Density functional study of lead chalcogenides: From bulk properties towards interfaces and alloys

  Kerstin Hummer (Speaker)

  25 Jun 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Vortrag auf Kongress: 5th International Workshop 'Nanoscience on Surfaces'

  Florian Mittendorfer (Speaker)

  25 Apr 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Vortrag auf Kongress: Symposium on surface science (3S) 2007

  Florian Mittendorfer (Speaker)

  11 Mar 2007

  Activity: Talks and presentations › Talk or oral contribution › Other

• Ab-initio Study on the Exciton Binding Energies in Organic Semiconductors

  Kerstin Hummer (Speaker)

  11 Dec 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Measurement of silicon solar cells ac parameter

  Viktor Schlosser (Speaker)

  5 Nov 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Morphological changes of metal clusters under oxidizing conditions

  Florian Mittendorfer (Speaker)

  23 Oct 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• The oxidation of Ni/Rh(553)

  Florian Mittendorfer (Speaker)

  27 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Coarse grains retained during the formation of the nanocrystalline structure in bulk Ni3Al

  Christian Rentenberger (Speaker)

  25 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Coarse grains retained during the formation of the nanocrystalline structure in bulk Ni3Al

  Hans-Peter Karnthaler (Speaker)

  25 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Coarse grains retained during the formation of the nanocrystalline structure in bulk Ni3Al

  Thomas Waitz (Speaker)

  25 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Martensitic phase transitions in ultrathin Fe films grown on Cu

  Albert Biedermann (Speaker)

  24 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Ab-initio calculations of bulk lead chalcogenides and their heterostructures

  Kerstin Hummer (Speaker)

  19 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Ab-initio Study on the Exciton Binding Energies in Organic Semiconductors

  Kerstin Hummer (Speaker)

  19 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Ion-beam modification of cuprate superconductors on a sub-µm scale

  Herbert Richter (Speaker)

  18 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• The morphology of mesoscopic metal clusters under oxidizing conditions

  Florian Mittendorfer (Invited speaker)

  11 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Ultrathin oxide films - Combining Experiment and Modelling

  Georg Kresse (Keynote speaker)

  6 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Structures of bulk nanocrystalline alloys studied by TEM

  Thomas Waitz (Speaker)

  3 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Structures of bulk nanocrystalline alloys studied by TEM

  Christian Rentenberger (Speaker)

  3 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Structures of bulk nanocrystalline alloys studied by TEM

  Hans-Peter Karnthaler (Speaker)

  3 Sept 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Ab-initio calculations of bulk lead chalcogenides and their heterostructures

  Kerstin Hummer (Contributor), Joachim Paier (Contributor) & Georg Kresse (Contributor)

  26 Jul 2006

  Activity: Talks and presentations › Poster presentation › Science to Science

• Intense pulsed current investigations on thin films of cuprate superconductors

  Ionut Puica (Speaker)

  17 Jul 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Beyond the local density approximation: hybrid functionals and GW

  Georg Kresse (Invited speaker)

  27 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Experimente mit flüssiger Luft und flüssigem Stickstoff

  Franz Sachslehner (Speaker)

  27 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Experimente mit flüssiger Luft und flüssigem Stickstoff

  Franz Sachslehner (Speaker)

  26 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Ultrathin Oxide Films and their Complexity Understood by First-Principles Methods

  Georg Kresse (Invited speaker)

  12 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Inhomogeneous Formation of Nanostructures in Intermetallics

  Christian Rentenberger (Speaker)

  8 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• TEM of bulk nanostructured metals and alloys

  Hans-Peter Karnthaler (Speaker)

  1 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• TEM of bulk nanostructured metals and alloys

  Thomas Waitz (Speaker)

  1 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• TEM of bulk nanostructured metals and alloys

  Christian Rentenberger (Speaker)

  1 Jun 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Beyond the local density approximation

  Juergen Hafner (Contributor)

  25 May 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Beyond the local density approximation

  Georg Kresse (Invited speaker)

  25 May 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Nanocrystalline materials studied by transmission electron microscopy

  Bernhard Mingler (Speaker)

  18 May 2006

  Activity: Talks and presentations › Talk or oral contribution › Other

• Nanocrystalline materials studied by transmission electron microscopy

  Thomas Waitz (Speaker)

  18 May 2006

  Activity: Talks and presentations › Talk or oral contribution › Other