K. Lejaeghere
Crystalline disorder: modelling randomness for more reliable materials properties
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
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