Activities per year
Activities
- 750 - 800 out of 892 results
Search results
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Second-order Moller-Plesset perturbation theory applied to extended systems
Martijn Marsman (Invited speaker)
25 Aug 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Second-order Moller-Plesset perturbation theory applied to extended systems
Georg Kresse (Contributor)
25 Aug 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab-initio study of the response of intermetallics to tensile and shear loading
Michal Jahnatek (Invited speaker)
17 Aug 2008Activity: Talks and presentations › Talk or oral contribution › Other
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The initial oxidation of Pd(110)
Florian Mittendorfer (Speaker)
27 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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NO adsorption on palladium clusters in mordenite
Robert Grybos (Invited speaker)
13 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Catalysis in space exploration: water photodissociation under conditions found on the Moon surface.
Robert Grybos (Speaker)
13 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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NO adsorption on palladium clusters in mordenite
Juergen Hafner (Contributor)
13 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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NO adsorption on palladium clusters in mordenite
Lubomir Benco (Contributor)
13 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Description of Active Sites Present at the (011)MoO2 Surface. Periodic and Cluster DFT Quantum Chemical Studies
Robert Grybos (Contributor)
6 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab initio calculations of free-energy reaction barriers
Tomas Bucko (Speaker)
1 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab initio calculations of free-energy reaction barriers
Juergen Hafner (Contributor)
1 Jul 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Density functional theory and its limitations: are ther ways to improve?
Georg Kresse (Invited speaker)
26 Jun 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab initio study of structural and magnetic propeties of nanowires from one to three dimensions
Martin Zeleny (Speaker)
25 Jun 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab initio study of structural and magnetic propeties of nanowires from one to three dimensions
Juergen Hafner (Contributor)
25 Jun 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Electronic Properties of the Active Sites at the (011)MoO2 Surface. Periodic and Cluster DFT Quantum Chemical Studies.
Robert Grybos (Contributor)
25 Jun 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Oxygen Adsorption on W(110): A Multiscale Modelling of the Phase Diagram
Markus Stöhr (Speaker)
25 Jun 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Many electron calculations using Density functional theory: successes, failures and limitations
Georg Kresse (Invited speaker)
16 Jun 2008Activity: Talks and presentations › Talk or oral contribution › Other
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2nd order Moller-Plesset perturbation theory applied to extended systems
Georg Kresse (Contributor)
26 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Hartree Fock, MP2 and AC-FDT using the PAW method
Georg Kresse (Invited speaker)
26 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab-initio calculations of PbSe, Pb_{1-x}Eu_{x}Se and EuSe
Andreas Grüneis (Contributor), Kerstin Hummer (Contributor) & Georg Kresse (Contributor)
14 May 2008Activity: Talks and presentations › Poster presentation › Science to Science
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Decomposition of N2O over Fe2+-exchanged ferrierite. Thermodynamik integration of the reaction path
Robert Grybos (Contributor)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Decomposition of N2O over Fe2+-exchanged ferrierite. Thermodynamik integration of the reaction path
Juergen Hafner (Contributor)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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NO adsorption on palladium clusters in mordenite
Lubomir Benco (Contributor)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Decomposition of N2O over Fe2+-exchanged ferrierite. Thermodynamik integration of the reaction path
Tomas Bucko (Contributor)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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NO adsorption on palladium clusters in mordenite
Juergen Hafner (Contributor)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Theoretical Description of Properties of Active Sites at the (011)MoO2 Surface
Robert Grybos (Contributor)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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NO adsorption on palladium clusters in mordenite
Robert Grybos (Invited speaker)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Decomposition of N2O over Fe2+-exchanged ferrierite. Thermodynamik integration of the reaction path
Lubomir Benco (Invited speaker)
11 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Short-range LDA + long-range HF+MP2 applied to solids
Martijn Marsman (Speaker)
9 May 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Hybrid functionals: Applications to metals and metal surfaces
Georg Kresse (Invited speaker)
31 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Correlation effects in charge-density wave insulator BaBiO3
Cesare Franchini (Selected presenter)
10 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Correlation effects in charge-density wave insulator BaBiO3
Martijn Marsman (Contributor)
10 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab initio phase diagram of oxygen adsorption on W(110)
Markus Stöhr (Speaker)
10 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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MP2 calculations for solid state systems
Martijn Marsman (Speaker)
10 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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MP2 calculations for solid state systems
Georg Kresse (Contributor)
10 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Correlation effects in charge-density wave insulator BaBiO3
Georg Kresse (Contributor)
10 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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The initial oxidation of Pd(110): How important is the surface stress?
Florian Mittendorfer (Speaker)
2 Mar 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Dissociative adsorption of O2 molecules on iron surfaces
Piotr Blonski (Speaker)
27 Feb 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Adaptive jump barrier height in Monte Carlo configuration kinetics
Doris Vogtenhuber (Contributor)
25 Feb 2008Activity: Talks and presentations › Talk or oral contribution › Other
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GW and hybrid functionals applied to extended systems
Georg Kresse (Invited speaker)
25 Feb 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Hybrid density functionals for calculating the lattice dynamics of semiconductors
Kerstin Hummer (Speaker)
25 Feb 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Improved description of correlation energies within an ab-initio framework
Georg Kresse (Contributor)
25 Feb 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Electronic Properties of the Active Sites Present at the (o11) MoO2 Surface. Periodic and Cluster DFT Quantum Chemical Studies.
Robert Grybos (Contributor)
25 Feb 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Diffusion studies by synchroton radiation
Lorenz-Mathias Stadler (Speaker)
21 Feb 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab initio study of structural and magnetic properties of iron nanowires
Martin Zeleny (Speaker)
23 Jan 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab-initio modeling of the response of intermetallics to tensile and shear loading
Michal Jahnatek (Speaker)
23 Jan 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Adsorption of atoms and small molecules on quasicrystalline surfaces
Juergen Hafner (Speaker)
23 Jan 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Ab initio study of structural and magnetic properties of iron nanowires
Juergen Hafner (Contributor)
23 Jan 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Structure and magnetism of small transition metal clusters
Piotr Blonski (Speaker)
23 Jan 2008Activity: Talks and presentations › Talk or oral contribution › Other
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Modeling materials and processes with VASP: density functional theory and beyond
Juergen Hafner (Invited speaker)
16 Jan 2008Activity: Talks and presentations › Talk or oral contribution › Other