K. Lejaeghere
Error bar assessment for ab initio prediction of vacancy formation energies
Tuning the elastic properties of metal-organic frameworks: between crystal breathing and mechanical robustness
Combined Theoretical-Experimental Study of Luminescent Materials
the Delta-benchmark: precision assessment of DFT solid state codes
ISBN/ISSN:
Poster
Conference / event / venue
CECAM/Psi-k Research Conference: Frontiers of first-principles simulations: materials design and discovery
Berlin, Germany
Sunday, 1 February, 2015 to Thursday, 5 February, 2015
An extended Pareto approach to computational materials design: tungsten alloys for nuclear fusion reactors
ISBN/ISSN:
Poster
Conference / event / venue
CECAM/Psi-k Research Conference: Frontiers of first-principles simulations: materials design and discovery
Berlin, Germany
Sunday, 1 February, 2015 to Thursday, 5 February, 2015
The 245 keV level of 111Cd: nuclear quadrupole moment and its error bar
ISBN/ISSN:
Poster
Conference / event / venue
17th International Conference on Hyperfine Interactions and 21th International Symposium on Nuclear Quadrupole Interactions (HFI/NQI 2014)
Canberra, Australia
Sunday, 21 September, 2014 to Friday, 26 September, 2014
Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks
Master of Science in Engineering Physics
2015
Boosting the discovery rate of quaternary Zintl phases
Error bar assesment for ab initio prediction of surface properties
Master of Science in Engineering Physics
2015
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