- Solid-state density-functional theory
- Screening studies and data mining
- Validation and verification of computational methods
- Mechanical and electronic properties of modular materials (metal-organic frameworks, ...)
- Materials for fusion reactors
- Bulk metallic glasses
- Embedding of impurities in metal host lattices
Nominated for the Eos Pipet 2016, awarded by Eos Magazine for promising young researchers.
First author of "Error estimates for solid-state density-functional theory predictions: an overview by means of the ground-state elemental crystals" (Crit. Rev. Solid State) and "Reproducibility in density functional theory calculations of solids" (Science). Please visit http://molmod.ugent.be/DeltaCodesDFT/ for more information.
Nature Materials has dedicated its column 'Material Witness' to our article about the minimum win fraction as a post-Pareto search criterion.
Ir. Kurt Lejaeghere has received the 14th FEA PhD Symposium Best Poster Award presented by Atlas Copco (2013) for the poster "A high-throughput approach to computational materials design: tungsten alloys for nuclear fusion reactors" (authors K. Lejaeghere, S. Cottenier and V. Van Speybroeck).
Ir. Kurt Lejaeghere has received a Umicore Award 2010 for his master thesis "Modellering van de mengingsenthalpie voor de ontwikkeling van nieuwe 'bulk metallic glasses' (BMG)" supervised by Prof. Dr. ir. Veronique Van Speybroeck and Dr. Stefaan Cottenier at the Center for Molecular Modeling.
Ir. Kurt Lejaeghere has received the ArcelorMittal prize 2009-2010 for his master thesis, titled "Modellering van de mengingsenthalpie voor de ontwikkeling van nieuwe 'bulk metallic glasses' (BMG)" supervised by Prof. Dr. ir. Veronique Van Speybroeck and Dr. Stefaan Cottenier at the Center for Molecular Modeling.
On the 3rd of July 2010 ir. Kurt Lejaeghere has been rewarded with the Boulvin-Van Engelen prize by AIG for his excellent student career so far.