The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison K. Lejaeghere ISBN/ISSN:TalkConference / event / venue TEC PhD meetingMol, BelgiumThursday, 26 January, 2012 Read more about The ground state elemental crystals as a benchmark set for solid state DFT: intrinsic accuracy and code comparison
DFT-based Thermal Properties: Three Levels of Error Management K. Lejaeghere ISBN/ISSN:Invited talkConference / event / venue Workshop on Uncertainty Quantification in Materials ModelingMinneapolis, MN, USAMonday, 16 December, 2013 to Tuesday, 17 December, 2013 Read more about DFT-based Thermal Properties: Three Levels of Error Management
A high-throughput approach to computational materials design: tungsten alloys for nuclear fusion reactors K. Lejaeghere, S. Cottenier, V. Van Speybroeck p. 82ISBN/ISSN:PosterConference / event / venue (presenting author K. Lejaeghere), UGent-FEA PhD Symposium 2013Ghent, BelgiumFriday, 6 December, 2013 Read more about A high-throughput approach to computational materials design: tungsten alloys for nuclear fusion reactors
Materials for Energy: The Role of Computational Materials Design K. Lejaeghere, K. Rijpstra, M. Sluydts, J. Jaeken, M. Waroquier, V. Van Speybroeck, S. Cottenier ISBN/ISSN:PosterConference / event / venue (presenting author K. Lejaeghere), Colloquium Physics and the Energy ChallengeBrussels, BelgiumSaturday, 20 April, 2013 Read more about Materials for Energy: The Role of Computational Materials Design
Benchmark Set for Accuracy Assessment of DFT Codes and Methods K. Lejaeghere, V. Van Speybroeck, S. Cottenier --ISBN/ISSN:PosterConference / event / venue (presenting author: S. Cottenier), 20th Wien2k WorkshopState College (PA), USAMonday, 12 August, 2013 to Thursday, 15 August, 2013 Read more about Benchmark Set for Accuracy Assessment of DFT Codes and Methods
The ground state elemental crystals as a guideline for the assessment of solid state DFT accuracy K. Lejaeghere, V. Van Speybroeck, G. Van Oost, S. Cottenier ISBN/ISSN:Invited talkConference / event / venue (presenting author K. Lejaeghere), NIST Workshop on Atomistic Simulations for Industrial NeedsGaithersburg, MD, USATuesday, 13 August, 2013 to Wednesday, 14 August, 2013 Read more about The ground state elemental crystals as a guideline for the assessment of solid state DFT accuracy
An extended Pareto approach to computational materials design K. Lejaeghere, S. Cottenier, V. Van Speybroeck p. 390ISBN/ISSN:0420-0195TalkConference / event / venue (presenting author K. Lejaeghere) DPG Spring MeetingRegensburg, GermanyMonday, 11 March, 2013 to Friday, 15 March, 2013 Read more about An extended Pareto approach to computational materials design
Elastische anisotropie als predictor voor het ademen van metaal-organische roosters Read more about Elastische anisotropie als predictor voor het ademen van metaal-organische roosters
High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters Read more about High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters
Is dit de MAX? Nieuwe materialen computationeel ontdekken met een high-throughputstrategie Read more about Is dit de MAX? Nieuwe materialen computationeel ontdekken met een high-throughputstrategie