The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison
ISBN/ISSN:
Talk
Conference / event / venue
TEC PhD meeting
Mol, Belgium
Thursday, 26 January, 2012
K. Lejaeghere
DFT-based Thermal Properties: Three Levels of Error Management
ISBN/ISSN:
Invited talk
Conference / event / venue
Workshop on Uncertainty Quantification in Materials Modeling
Minneapolis, MN, USA
Monday, 16 December, 2013 to Tuesday, 17 December, 2013
A high-throughput approach to computational materials design: tungsten alloys for nuclear fusion reactors
p. 82
ISBN/ISSN:
Poster
Conference / event / venue
(presenting author K. Lejaeghere), UGent-FEA PhD Symposium 2013
Ghent, Belgium
Friday, 6 December, 2013
Materials for Energy: The Role of Computational Materials Design
ISBN/ISSN:
Poster
Conference / event / venue
(presenting author K. Lejaeghere), Colloquium Physics and the Energy Challenge
Brussels, Belgium
Saturday, 20 April, 2013
Benchmark Set for Accuracy Assessment of DFT Codes and Methods
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ISBN/ISSN:
Poster
Conference / event / venue
(presenting author: S. Cottenier), 20th Wien2k Workshop
State College (PA), USA
Monday, 12 August, 2013 to Thursday, 15 August, 2013
The ground state elemental crystals as a guideline for the assessment of solid state DFT accuracy
ISBN/ISSN:
Invited talk
Conference / event / venue
(presenting author K. Lejaeghere), NIST Workshop on Atomistic Simulations for Industrial Needs
Gaithersburg, MD, USA
Tuesday, 13 August, 2013 to Wednesday, 14 August, 2013
An extended Pareto approach to computational materials design
p. 390
ISBN/ISSN:0420-0195
Talk
Conference / event / venue
(presenting author K. Lejaeghere) DPG Spring Meeting
Regensburg, Germany
Monday, 11 March, 2013 to Friday, 15 March, 2013
Elastische anisotropie als predictor voor het ademen van metaal-organische roosters
High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters
Is dit de MAX? Nieuwe materialen computationeel ontdekken met een high-throughputstrategie
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