Error bar assesment for ab initio prediction of surface properties
Master of Science in Engineering Physics
2015
K. Lejaeghere
Combined theoretical-experimental study of luminescent materials
Master of Science in Engineering Physics
2015
Supervisors
Prof. Dr. ir. Karen Hemelsoet, Prof. Dr. Philippe SmetComputationele trekproeven voor wolfraamlegeringen in kernfusiereactoren
Master of Science in Physics and Astronomy
2015
Ab initio modeling for the design of TCO’s: structural properties
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Invited talk
Conference / event / venue
The future of transparent conducting oxides
Hasselt, Belgium
Tuesday, 26 August, 2014
Tailoring Metal-organic frameworks for adsorption applications
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Talk
Conference / event / venue
E-MRS 2014 Spring Meeting
Lille, France
Monday, 26 May, 2014 to Friday, 30 May, 2014
An extended Pareto approach to computational materials design: tungsten alloys for nuclear fusion reactors
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Talk
Conference / event / venue
E-MRS 2014 Spring Meeting
Lille, France
Monday, 26 May, 2014 to Friday, 30 May, 2014
Checking the engines: quantitative error bar assessment for DFT-based property predictions
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Talk
Conference / event / venue
E-MRS 2014 Spring Meeting
Lille, France
Monday, 26 May, 2014 to Friday, 30 May, 2014
Ab Initio Screening of Suitable Tungsten Alloys as First-Wall Material in Nuclear Fusion Reactors
Wed, 21/05/2014
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
DFT vs. reality: the error budget
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Invited talk
Conference / event / venue
International workshop on computational physics and materials science ("Total energy and force methods")
Lausanne, Switzerland
Thursday, 9 January, 2014 to Saturday, 11 January, 2014
The virtual Polonium lab: risk-free predicting properties of Po-containing compounds from first principles
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