S. Cottenier
Chemical bonds in crystals: a machine learning view
Process-property-microstructure assessment of novel High-Entropy Alloys
Developing new iron-nitrogen steels with ab initio thermodynamics
Machine learning for material discovery and material design
Error estimation in molecular dynamics simulations: nitrogen impurities in iron with machine learning potentials
The Delta-Project - Toward a Precision Benchmark Set for Solid State DFT
ISBN/ISSN:
Poster
Conference / event / venue
QCB13
Brussels, Belgium
Tuesday, 30 January, 2018
The Delta-Project - Toward a Precision Benchmark Set for Solid State DFT
ISBN/ISSN:
Talk
Conference / event / venue
AHPC18
Linz, Austria
Monday, 19 February, 2018 to Wednesday, 21 February, 2018
A density-functional theory investigation of γ-Fe4N, α''-Fe16N2 and ε-Fe3N1+y precipitates in an Fe-N solid solution
ISBN/ISSN:
Talk
Conference / event / venue
EUROMAT 2017
Thessaloniki, Greece
Sunday, 17 September, 2017 to Friday, 22 September, 2017
Density functional theory study on the B doping and B/P codoping of Si nanocrystals embedded in SiO2 (vol 95, 075307, 2017)
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