Invited Talks

  1. G. Kresse,
    ``Ab initio Molecular Dynamics for liquid metals'',
    Sixth International Conference on the Structure of Non-Crystalline Materials (NCM6), Prag (Tschechia), 1994.

  2. G. Kresse,
    ``Ab initio molecular dynamics applied to the dynamics of liquid metals and to the metal/non-metal transition'',
    9th International Conference on Liquid and amorphous metals (LAM9), Chicago (USA), 1995.

  3. G. Kresse,
    ``Efficient ab-initio total energy calculations for metallic surfaces using a plane wave basis set'',
    Total Energy and Force Workshop, Paris (France), 10.-12.1.1996.

  4. G. Kresse,
    ``Efficient Ab-Initio Plane Wave Calculations for Large Systems:
    Application to Topological and Chemical Short-Range Order in l-KSb'',
    CECAM workshop: ``Theoretical predictions of alloy phase stability'', Lyon (France), 9.-14.6.1996.

  5. G. Kresse,
    ``Efficient Iterative Matrix Diagonalization Schemes for ab initio Total Energy Calculations of Metals and Semiconductors'',
    8th Annual Conference on New Methods in Electronic Structure Calculations, Minneapolis (USA), 15.-17.6.1996.

  6. G. Kresse,
    ``Vienna ab initio package (VASP)'',
    CECAM workshop: "How can ab initio calculations be an effective tool for the study of mineral properties'', Lyon (France), 24.-29.6.1997.

  7. G. Kresse and J. Hafner,
    ``Effiziente ab-initio Rechnungen für große Systeme: Anwendung auf Metalle'',
    Österreichische Physikalische Gesellschaft, Wien (Austria), 22.-26.9.1997.

  8. G. Kresse,
    ``Implementation of the PAW method for metallic systems'',
    Workshop "Catalysis from First Principles'', Copenhagen (Denmark), 17.-19.5.1999.

  9. G. Kresse,
    ``VASP: An efficient and versatile plane wave pseudopotential program'',
    ICIAM 99, Edinburgh (UK), 5.-9.6.1999.

  10. G. Kresse,
    ``H and H$_2$ on Ni (111), (100) and (110): adsorption, dissociation and reconstruction'',
    ECCOS 18, Wien (Austria), 21-24.9.1999.

  11. G. Kresse,
    ``First Principles Calculations for V$_x$O$_y$ grown on Pd(111)'',
    Workshop ``Catalysis from First Principles'', Lyon (France), 5.-9.7.2000.

  12. G. Kresse,
    ``Fast all electron ab initio molecular dynamics'',
    $\Psi_k$ Conference 2000, Schwäbisch Gmünd (Germany), 21.-24.9.2000.

  13. G. Kresse,
    ``Supported vanadium oxides: growth and morphology'',
    Conference on ``Density functional Theory for complex oxides'', London (England), 16.-18.5.2001.

  14. G. Kresse,
    ``Shape and catalytic properties of MoS$_2$ nano-particles'',
    EURESCO Conference: ``Fundamental aspects of Surface Science'', San Feliu (Spain), 23.-28.6.2001.

  15. G. Kresse,
    ``Complex surface reconstructions predicted by density functional theory'',
    VIIth European Conference on surface crystallography and dynamics, Leiden (Netherlands), 25.-29.8.2001.

  16. G. Kresse,
    ``First-principles Molecular Dynamics: Recent Progresses and Limitations'',
    11th Liquid and Amorphous Metal Conference (LAM11), Yokohama (Japan), 09.-15.09.2001.

  17. G. Kresse,
    ``Phonon softening in metallic nanotubes by a Peierls like mechanism'',
    XVIth International Winterschool on Electronic Properties of Novel Materials (IWEPNM), Kirchberg (Austria), 03.-08.03.2002.

  18. G. Kresse,
    ``The initial oxide formation on metal surfaces studied by density functional theory'',
    DPG 2002, Regensburg (Germany), 10.03.-15.03.2002.

  19. G. Kresse,
    ``The polar ZnO surfaces: What can we learn from Density Functional Studies'',
    IWOX 3, Sapporo (Japan), 27.01-31.02.2003.

  20. G. Kresse, A. Eichler, M. Gaijdos
    ``The importance of single electron orbitals for the description of CO adsorption on surfaces'',
    ISSC-13, Liverpool (England), 16.6.-19.6.2003.

  21. G. Kresse,
    ``The initial growth of Rh2O3 on Rh(111): surface phase diagrams from ab initio calculations'',
    Oxide formation on metal surfaces: stability, reactivity and high pressures, Lund (Sweden), 2.7.-3.7.2003.

  22. G. Kresse,
    ``The initial growth of Rh2O3 on Rh(111): surface phase diagrams from ab initio calculations'',
    Oxide formation on metal surfaces: stability, reactivity and high pressures, Lund (Sweden), 2.7.-3.7.2003.

  23. G. Kresse,
    ``Competing stabilisation mechanism for the polar ZnO(0001)-Zn surface'',
    22nd European Conference on Surface Science, Prag, 7.9.-12.9.2003.

  24. G. Kresse,
    ``Are one electron orbitals and energies relevant for the description of CO adsorption on metal surfaces'',
    39th Symposium on Theoretical Chemistry, Hellman Prize Talk, 28.09-02.10.2003.

  25. G. Kresse,
    ``Capabilities of VASP.4.6'',
    Medea user group meeting, Orcas Island, Washington State, USA, 17.06-20.06.2004.

  26. G. Kresse,
    ``Ab Initio Density Functional Studies for Metal Surfaces: Possibilities and Limitations'',
    Österreichische Physikalische Gesellschaft (ÖPG 2004), 28.09.-30.09.2004.

  27. G. Kresse, L. Köhler, M. Shishkin, M. Schmid, P. Varga
    ``The structure of the ultra-thin Al2O3 layer on NiAl(110): first principle and STM study'',
    CECAM workshop, "In situ atomic scale characterization of surface under high pressure: recent advances and theory", Lyon, 04.11.-06.11.2004.

  28. G. Kresse,
    ``Accurate force and phonon calculations using VASP and the VASP PAW datasets'',
    Workshop on ab initio phonon calculations, 02.12.-04.12.2004.

  29. G. Kresse,
    ``Structure of the ultrathin aluminum oxide film on NiAl(110)'',
    89th International Bunsen Discussion Meeting, ``Chemical processes at oxide surfaces: from experiment to theory'' Meschede (Germany), 15.06.-17.06.2005.

  30. G. Kresse,
    ``Ultrathin surface oxides: structural determination and properties'',
    Psi-k 2005, Schwäbisch Gmünd (Germany), 17.9.-21.9.2005.

  31. G. Kresse,
    ``Ultrathin surface oxides: structural determination and properties'',
    Psi-k 2005, Schwäbisch Gmünd (Germany), 17.9.-21.9.2005.

  32. G. Kresse and J. Hafner,
    ``Beyond the local density approximation'',
    11th International Workshop on Computational Electronics (IWCE-11), Wien (Austria), 24.5.-27.5.2006.

  33. G. Kresse,
    ``Ultrathin Oxide Films and their Complexity Understood by First-Principles Methods'',
    11th International Conference on Theoretical Aspects of Catalysis (ICTAC-11), Berlin (Germany), 11.6-14.6.2006.

  34. G. Kresse,
    ``Beyond the local density approximation: hybrid functionals and GW'',
    Colloquium ``Modern and universal first-principles methods for many electron systems in chemistry and physics'', Bad Herrnalb (Germany), 26.6-28.6.2006.

  35. G. Kresse,
    ``Plenary Lecture: Ultrathin oxide films-- Combining Experiment and Modelling'',
    European conference on surface science (ECOSS 24), Paris (France), 4.9-8.9.2006.

  36. G. Kresse,
    ``Hybrid functional and selfconsistent GW$\Gamma$ calculations for solids'',
    American Physical Scociety (APS), March Meeting, Denver (US), 5-9.3.2007.

  37. G. Kresse,
    ``Ultrathin alumina films: structural determination and properties'',
    9th European conference on surface crystallography and diffusion (ECSCD-9), Vienna, 2-5.9.2007.

  38. G. Kresse,
    ``Accurate band gaps and dielectric properties from one electron theories'',
    CCP2007 Conference in computational physics, Brussels, 5-8.9.2007.

  39. G. Kresse,
    ``Methods beyond the local density approximation: hybrid functionals and GW'',
    4th ACCMS Asian Consortium on Computational Materials Science, Seoul (Korea), 12-16.9.2007.

  40. G. Kresse,
    ``Exact exchange and MP2 using plane waves and periodic boundary conditions'',
    Central European Symposium on Theoretical Chemistry 2007 (CESTC), Litschau (Austria), 23-26.9.2007.

  41. G. Kresse,
    ``VASP: linear response and hybrid functionals'',
    2nd Workshop on ab initio phonon calculations, Cracow (Polen), 6-8.12.2007.

  42. G. Kresse,
    ``GW and hybrid functionals applied to extended systems'',
    DPG 2008, Berlin (Germany), 25.-29.02.2008.

  43. G. Kresse,
    ``Hybrid functionals: Applications to metals and metal surfaces'',
    The inaugural materials simulation laboratory workshop, UCL London, 31.03-03.04.2008.

  44. G. Kresse,
    ``Hartree Fock, MP2 and AC-FDT using the PAW method'',
    GW and hybrid functionals applied to extended systems'',
    CECAM workshop Lyon (France), 26.-29.05.2008.

  45. G. Kresse,
    ``Many electron calculations using Density functional theory: successes, failures and limitations'',
    International Summer School on Physics at Nanoscale,
    Devet Skal, Czech Republic, 16.-21.06.2008.

  46. G. Kresse,
    ``Density functional theory and its limitations: are there ways to improve ?'',
    Mid-term COST conference on Multiscale Modeling of Materials, Brno (Tschech republic), 26.-28.06.2008.

  47. G. Kresse,
    ``Hybrid functionals: Successes and failures for extended systems'',
    nternational Summer School on Physics at Nanoscale,
    7th European Conference on Computational Chemistry, Venice (Italy), 11-15.09.2008.

  48. G. Kresse,
    ``Fock Exchange and Many Body Perturpation Theory using Plane Waves'',
    44. Symposium für Theoretische Chemie, Ramsau am Dachstein, 23.-27.09.2008.

  49. G. Kresse,
    ``Wave function based methods for periodic systems'',
    14. European Seminar on Computational Methods in Quantum Chemistry, Elba (Italy), 02.-06.10.2008.

  50. G. Kresse,
    ``TD-DFT using hybrid functionals: an alternative to GW and BSE?'',
    Meeting on Optical Response in Extended Systems, Vienna (Austria), 19.-21.10.2008.

  51. G. Kresse,
    ``Accurate total energies from methods that include non-local exchange'',
    2009 Materials Simulation Laboratory workshop, University College London (England), 12.-13.01.2009.

  52. G. Kresse,
    ``Introduction to DFT and PAW method and Application of VASP'',
    FUMNAT Researcher School, Oslo (Norway), 27.-28.04.2009.

  53. G. Kresse,
    ``The CO adsorption puzzle: is there a solution, finally ?'',
    Catalysis from first principles workshop, Vienna (Austria), 25.-28.05.2009.

  54. G. Kresse,
    ``Hybrid functionals and GW applied to complex materials'',
    CECAM workshop ``Which Electronic Structure Method for the Study of Defects?'', Lausanne (Switzerland), 8.-10.06.2009.

  55. G. Kresse,
    ``Wave-function based correlated methods for solids'',
    13th ICQC (Internation Congress of Quantum Chemistry), Helsinki (Finland), 22.-27.06.2009.

  56. G. Kresse,
    ``Beyond the local approximation: total energies from adiabatic coupling theorem'',
    Gordon Research Conference on Time-Dependent Density-Functional Theory, New London (USA), 05.-10.07.2009.

Georg Kresse 2009-09-28