K. Lejaeghere

Mn impurities in CaZnOS: insight from luminescence spectroscopy and density functional theory

J.J. Joos, K. Lejaeghere, K. Korthout, A. Feng, D. Poelman, P.F. Smet

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Talk

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Workshop on Charge Trapping Defects in Semiconductors and Insulators

York, UK

Monday, 20 March, 2017 to Tuesday, 21 March, 2017

A density-functional theory investigation of γ-Fe4N, α''-Fe16N2 and ε-Fe3N1+y precipitates in an Fe-N solid solution

S. De Waele, K. Lejaeghere, L. Duprez, R. Hubert, E. Leunis, S. Cottenier

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Talk

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EUROMAT 2017

Thessaloniki, Greece

Sunday, 17 September, 2017 to Friday, 22 September, 2017

Six unconvenient truths about DFT uncertainty quantification

K. Lejaeghere

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Invited talk

Conference / event / venue

IPAM Workshop ELWS4: Uncertainty Quantification for Stochastic Systems and Applications

Los Angeles, USA

Monday, 13 November, 2017 to Friday, 17 November, 2017

Modeling dispersion interactions in flexible metal-organic frameworks: critical influence on phase stability

J. Wieme, K. Lejaeghere, V. Van Speybroeck

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Poster

Conference / event / venue

EUROMOF 2017

Delft, The Netherlands

Monday, 30 October, 2017

Designing 2D hybrid organic-inorganic perovskites for game-changing photovoltaics

T. Braeckevelt

Master of Science in Engineering Physics

2018

Supervisors

Prof. Dr. ir. Veronique Van Speybroeck, Dr. ir. Kurt Lejaeghere

Modeling dispersion interactions in flexible metal-organic frameworks: critical influence on phase stability

J. Wieme, K. Lejaeghere, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

EUROMAT 2017

Thessaloniki, Greece

Sunday, 17 September, 2017 to Friday, 22 September, 2017

A Multionjective search for alternative tungsten alloys in nuclear fusion

K. Lejaeghere, S. Cottenier, V. Van Speybroeck

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Poster

Conference / event / venue

EUROMAT 2017

Thessaloniki, Greece

Sunday, 17 September, 2017 to Friday, 22 September, 2017

Missing linkers: an alternative pathway to UiO-66 electronic structure engineering

A. De Vos, K. Hendrickx, P. Van der Voort, V. Van Speybroeck, K. Lejaeghere

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Talk

Conference / event / venue

EUROMAT 2017

Thessaloniki, Greece

Sunday, 17 September, 2017 to Friday, 22 September, 2017

The Delta project: current status and future directions

K. Lejaeghere, S. Cottenier, the Delta collaboration

ISBN/ISSN:

Invited talk

Conference / event / venue

Abidev 2017

Fréjus, France

Tuesday, 9 May, 2017 to Friday, 12 May, 2017

Mn impurities in CaZnOS: insight from luminescence spectroscopy and density functional theory

Conference / event / venue

A density-functional theory investigation of γ-Fe4N, α''-Fe16N2 and ε-Fe3N1+y precipitates in an Fe-N solid solution

Conference / event / venue

Six unconvenient truths about DFT uncertainty quantification

Conference / event / venue

Modeling dispersion interactions in flexible metal-organic frameworks: critical influence on phase stability

Conference / event / venue

Designing 2D hybrid organic-inorganic perovskites for game-changing photovoltaics

Supervisors

Modeling dispersion interactions in flexible metal-organic frameworks: critical influence on phase stability

Conference / event / venue

A Multionjective search for alternative tungsten alloys in nuclear fusion

Conference / event / venue

Missing linkers: an alternative pathway to UiO-66 electronic structure engineering

Conference / event / venue

The Delta project: current status and future directions

Conference / event / venue

Error estimation in molecular dynamics simulations: nitrogen impurities in iron with empirical potentials

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K. Lejaeghere

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