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

• Noncollinear magnetism in Mn nanostructures

  Martin Zeleny (Selected presenter)

  16 Apr 2009

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

• Magnetism in metal oxides by post-DFT methods

  Cesare Franchini (Contributor)

  16 Apr 2009

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

• Kinetic Monte Carlo simulations of temperature programmed desorption

  Georg Kresse (Contributor)

  22 Mar 2009

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

• RPA atomization energies of extended systems

  Georg Kresse (Contributor)

  22 Mar 2009

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

• Kinetic Monte Carlo simulations of temperature programmed desorption

  Florian Mittendorfer (Contributor)

  22 Mar 2009

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

• 2nd-order Moller-Plesset perturbation theory applied to extended systems

  Martijn Marsman (Contributor), Andreas Grüneis (Contributor) & Georg Kresse (Contributor)

  22 Mar 2009

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

• Low-dimensional surface oxides inthe oxidation of Rh particles

  Florian Mittendorfer (Speaker)

  22 Mar 2009

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

• MP2 and RPA applied to solid state systems

  Georg Kresse (Contributor)

  16 Mar 2009

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

• Polaronic hole-trapping in doped insulating oxide Ba1-xKxBiO3

  Georg Kresse (Contributor)

  16 Mar 2009

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

• MP2 and RPA applied to solid state systems

  Martijn Marsman (Invited speaker)

  16 Mar 2009

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

• Polaronic hole-trapping in doped insulating oxide Ba1-xKxBiO3

  Cesare Franchini (Selected presenter)

  16 Mar 2009

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

• Ab-initio study of mechanical properties of intermetallics

  Michal Jahnatek (Invited speaker)

  25 Feb 2009

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

• Ab-initio study of mechanical properties of intermetallics

  Juergen Hafner (Invited speaker)

  25 Feb 2009

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

• Electronic structure calculations for solids

  Georg Kresse (Contributor)

  11 Feb 2009

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

• Electronic structure calculations for solids

  Martijn Marsman (Invited speaker)

  11 Feb 2009

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

• Accurate total energies from methods that include non-local exchange

  Georg Kresse (Invited speaker)

  12 Jan 2009

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

• 2nd-order Moller-Plesset perturbation theory applied to extended systems

  Andreas Grüneis (Contributor), Martijn Marsman (Contributor) & Georg Kresse (Contributor)

  8 Jan 2009

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

• 2nd order Moller-Plesset perturbation theory applied to extended systems

  Martijn Marsman (Selected presenter)

  8 Jan 2009

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

• 2nd order Moller-Plesset perturbation theory applied to extended systems

  Georg Kresse (Contributor)

  8 Jan 2009

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

• RPA lattice constants and atomization energies

  Judith Harl (Contributor) & Georg Kresse (Contributor)

  2009

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

• 2nd-order Moller-Plesset perturbation and coupled-cluster theory applied to extended systems

  Andreas Grüneis (Contributor), Martijn Marsman (Contributor) & Georg Kresse (Contributor)

  2009

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

• MP2 and RPA applied to solid state systems

  Martijn Marsman (Contributor), Andreas Grüneis (Contributor), Judith Harl (Contributor) & Georg Kresse (Contributor)

  2009

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

• Kinetic Monte Carlo simulations of temperture-programmed desorption

  Thomas Franz (Contributor), Florian Mittendorfer (Contributor) & Georg Kresse (Contributor)

  2009

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

• Improved description of correlation energies using the random phase approximation

  Judith Harl (Contributor) & Georg Kresse (Contributor)

  2009

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

• Improved description of correlation energies within the ACFDT-RPA framework

  Laurids Schimka (Contributor) & Georg Kresse (Contributor)

  2009

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

• Meeting on Optical Response in Extended Systems

  Kerstin Hummer (Organiser)

  19 Nov 2008 → 21 Nov 2008

  Activity: Academic events › Organisation of ...

• TD-DFT using hybrid functionals: an alternative to GW & BSE

  Georg Kresse (Speaker)

  19 Nov 2008

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

• Monte-Carlo simulation of atom kinetics in intermetallics: Correcting the jump rates

  Doris Vogtenhuber (Contributor)

  13 Nov 2008

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

• Kinetic Monte Carlo simulations of desorption spectra

  Florian Mittendorfer (Contributor)

  3 Nov 2008

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

• Ab initio phase diagram of oxygen adsorption on W(110)

  Markus Stöhr (Speaker)

  3 Nov 2008

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

• Structural Investigations of the N/Cu(110) Template

  Doris Vogtenhuber (Speaker)

  3 Nov 2008

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

• Structural Investigations of the N/Cu(110) Template

  Florian Mittendorfer (Contributor)

  3 Nov 2008

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

• Hartree-Fock + 2nd-order Moller-Plesset perturbation theory applied to extended systems

  Georg Kresse (Contributor)

  16 Oct 2008

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

• Hartree-Fock + 2nd-order Moller-Plesset perturbation theory applied to extended systems

  Martijn Marsman (Invited speaker)

  16 Oct 2008

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

• Wave function based methods for periodic systems

  Georg Kresse (Speaker)

  2 Oct 2008

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

• Many-Body Perturbation Theory applied to extended systems: MP2 and ACFDT

  Georg Kresse (Contributor)

  28 Sept 2008

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

• Many-Body Perturbation Theory applied to extended systems: MP2 and ACFDT

  Georg Kresse (Contributor)

  23 Sept 2008

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

• Modelling the spread of invasive alien plants: integrating habitat distribution models and interacting particle systems

  Lorenz-Mathias Stadler (Contributor)

  23 Sept 2008

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

• Fock Exchange and Many Body Perturpation Theory using Plane Waves

  Georg Kresse (Invited speaker)

  23 Sept 2008

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

• Ab Initio Simulations of Materials Using VASP: Density Functional Theory and Beyond

  Juergen Hafner (Invited speaker)

  14 Sept 2008

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

• Hybrid functionals and Moller-Plesset Perturbation Theory applied to Extended Systems

  Georg Kresse (Contributor)

  14 Sept 2008

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

• Hybrid functionals: successes and failures for extended systems

  Georg Kresse (Invited speaker)

  11 Sept 2008

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

• Absorption Spectra from TD-DFT: Do Hybrid Functionals Account for Excitonic Effects?

  Kerstin Hummer (Invited speaker)

  11 Sept 2008

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

• Ab-initio study of the response of intermetallics to tensile and shear deformations

  Michal Jahnatek (Speaker)

  10 Sept 2008

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

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

  Juergen Hafner (Contributor)

  5 Sept 2008

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

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

  Martin Zeleny (Speaker)

  5 Sept 2008

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

• Free energy calculation of the reaction path of the N2O decomposition over Fe(II)-ferrierite

  Tomas Bucko (Contributor)

  2 Sept 2008

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

• Free energy calculation of the reaction path of the N2O decomposition over Fe(II)-ferrierite

  Robert Grybos (Contributor)

  2 Sept 2008

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

• Free energy calculation of the reaction path of the N2O decomposition over Fe(II)-ferrierite

  Juergen Hafner (Contributor)

  2 Sept 2008

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

• Free energy calculation of the reaction path of the N2O decomposition over Fe(II)-ferrierite

  Lubomir Benco (Speaker)

  2 Sept 2008

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