The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison K. Lejaeghere, V. Van Speybroeck, S. Cottenier PosterConference / event / venue QCB10Brussels, BelgiumFriday, 10 February, 2012 Read more about The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison
Modelling of the enthalpy of mixing for the development of new 'bulk metallic glasses' (BMG) K. Lejaeghere, S. Cottenier, M. Waroquier, V. Van Speybroeck PosterConference / event / venue OCAS PhD DayZelzate, BelgiumThursday, 10 June, 2010 Read more about Modelling of the enthalpy of mixing for the development of new 'bulk metallic glasses' (BMG)
Ab initio calculations on the enthalpy of formation in the FeCr-system K. Rijpstra, S. Cottenier, V. Van Speybroeck, D. Van Neck PosterConference / event / venue CAMD Summer School 2010Lyngby, DenmarkSaturday, 14 August, 2010 to Friday, 20 August, 2010 Read more about Ab initio calculations on the enthalpy of formation in the FeCr-system
Modelling of the enthalpy of mixing for the development of new 'bulk metallic glasses' (BMG) K. Lejaeghere, S. Cottenier, M. Waroquier, V. Van Speybroeck PosterConference / event / venue CAMD Summer School 2010Lyngby, DenmarkSaturday, 14 August, 2010 to Friday, 20 August, 2010 Read more about Modelling of the enthalpy of mixing for the development of new 'bulk metallic glasses' (BMG)
A new challenge to molecular spectroscopy: The quadrupole shift as a second order correction to the isomer shift K. Koch, H. Rosner, D. Van Neck, K. Koepernik, S. Cottenier PosterConference / event / venue High Resolution Molecular Spectroscopy 2009Castellamare di Stabia, ItalyTuesday, 31 August, 2010 to Saturday, 4 September, 2010 Read more about A new challenge to molecular spectroscopy: The quadrupole shift as a second order correction to the isomer shift
Crystalline Fe under TPa pressures: simple or complex? S. Cottenier, M.I.J. Probert, V. Van Speybroeck, M. Waroquier PosterConference / event / venue Psi-k ConferenceBerlin, GermanySunday, 12 September, 2010 to Thursday, 16 September, 2010 Read more about Crystalline Fe under TPa pressures: simple or complex?
Electron penetration into the nucleus and its effect on the quadrupole interaction K. Koch, H. Rosner, K. Koepernik, D. Van Neck, S. Cottenier P. 226PosterConference / event / venue Psi-k ConferenceBerlin, GermanySunday, 12 September, 2010 to Thursday, 16 September, 2010 Read more about Electron penetration into the nucleus and its effect on the quadrupole interaction
Revisiting the EFG at Cd sites in metals: TDPAC experiments, APW+lo calculations and the nuclear quadrupole moment of 245 keV excited state of 111Cd L.A. Errico, S. Cottenier, M. Renteria PosterConference / event / venue 3rd Joint International Conference on Hyperfine Interactions and International Symposium on Nuclear Quadrupole InteractionsCERN, Geneva, SwitzerlandMonday, 13 September, 2010 to Friday, 17 September, 2010 Read more about Revisiting the EFG at Cd sites in metals: TDPAC experiments, APW+lo calculations and the nuclear quadrupole moment of 245 keV excited state of 111Cd
Crystalline Fe under TPa pressures: simple or complex? S. Cottenier, M. Probert, V. Van Speybroeck, M. Waroquier PosterConference / event / venue Ab initio modelling of iron and steel (ADIS) 2010, 468th Wilhelm und Else Heraeus-SeminarRingberg Castle, Tegernsee, GermanySunday, 24 October, 2010 to Friday, 29 October, 2010 Read more about Crystalline Fe under TPa pressures: simple or complex?
Computationele zoektocht naar een waardig alternatief voor staal K. Lejaeghere, S. Cottenier, V. Van Speybroeck PosterConference / event / venue ie-prijzen 2010Brussels, BelgiumThursday, 25 November, 2010 Read more about Computationele zoektocht naar een waardig alternatief voor staal