Computational Materials Science: are you being served?
Invited talk
Conference / event / venue
OCAS PhD Day 2012
Gent, Belgium
Tuesday, 6 November, 2012
S. Cottenier
Finding candidate materials for the first wall of fusion reactors by an inverse strategy
p. RR 9.04
ISBN/ISSN:
Invited talk
Conference / event / venue
(presenting author S. Cottenier) MRS Fall Meeting
Boston, USA
Sunday, 25 November, 2012 to Friday, 30 November, 2012
Theorethical thermochemistry of Po interacting with LBE and filter materials
ISBN/ISSN:
Talk
Conference / event / venue
11th International Workshop on Spallation Materials Technology
Gent, Belgium
Monday, 5 November, 2012 to Friday, 9 November, 2012
The ground state elemental crystals as a benchmark for solid state DFT: intrinsic accuracy and code comparison
p. 59
Talk
Conference / event / venue
(presenting author S. Cottenier) Ab initio Description of Iron and Steel: Thermodynamics and Kinetics (ADIS 2012)
Ringberg Castle (Tegernsee, Germany)
Sunday, 29 April, 2012 to Friday, 4 May, 2012
Error bars for solid-state density-functional theory predictions
p.
Invited talk
Conference / event / venue
(presenting author S. Cottenier), 17th ETSF Workshop on Electronic Excitations
Coimbra, Portugal
Monday, 1 October, 2012 to Friday, 5 October, 2012
Pragmatic band gap calculations as a 'sieve' for experimental tabulations
Talk
Conference / event / venue
17th ETSF Workshop on Electronic Excitations
Coimbra, Portugal
Tuesday, 2 October, 2012 to Friday, 5 October, 2012
Pragmatic band gap calculations as a sieve for experimental tabulations
p.
Poster
Conference / event / venue
19th wien2k Workshop
Waseda University, Tokyo, Japan
Monday, 3 September, 2012 to Friday, 7 September, 2012
Crystal structure prediction for supersaturated Al-doped ZnO: the case of Zn3Al2O6
p.
Poster
Conference / event / venue
19th wien2k Workshop
Waseda University, Tokyo, Japan
Monday, 3 September, 2012 to Friday, 7 September, 2012
Crystal structure prediction for iron as inner core material in the Earth and exoplanets
Poster
Conference / event / venue
19th wien2k Workshop
Waseda University, Tokyo, Japan
Monday, 3 September, 2012 to Friday, 7 September, 2012
Error bars on DFT predictions: sense or nonsense?
Invited talk
Conference / event / venue
(presenting author S. Cottenier), 19th WIEN2k Workshop
Waseda University, Tokyo, Japan
Monday, 3 September, 2012 to Friday, 7 September, 2012
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