K. Lejaeghere

Density-functional theory and experiment: a match made in heaven or in hell?

K. Lejaeghere, V. Van Speybroeck, L. Vanduyfhuys, T. Verstraelen, the Delta collaboration, S. Cottenier

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Invited talk

Conference / event / venue

EMN Meeting 2016 on Computation and Theory

Las Vegas, NV, USA

Monday, 10 October, 2016 to Friday, 14 October, 2016

Orthogonal band gap engineering of UiO-66 frameworks through active control of defects

K. Lejaeghere, A. De Vos, K. Hendrickx, S.M.J. Rogge, P. Van der Voort, V. Van Speybroeck

ISBN/ISSN:

Invited talk

Conference / event / venue

EMN Meeting 2016 on Active Matter

Las Vegas, NV, USA

Monday, 10 October, 2016 to Friday, 14 October, 2016

Understanding intrinsic light absorption properties of UiO-66 frameworks: A combined theoretical and experimental study

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

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Poster

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Annual IAP meeting

Liège, Belgium

Monday, 12 September, 2016

Density-functional theory and experiment: a match made in heaven or in hell?

K. Lejaeghere, V. Van Speybroeck, L. Vanduyfhuys, T. Verstraelen, S. Cottenier

ISBN/ISSN:

Talk

Conference / event / venue

ICAMM 2016

Rennes, France

Monday, 5 September, 2016 to Wednesday, 7 September, 2016

Orthogonal band gap engineering in Zr based MOFs

A. De Vos, K. Hendrickx, S.M.J. Rogge, K. Lejaeghere, V. Van Speybroeck

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Talk

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IAP-WP2 meeting

Zwijnaarde, Belgium

Friday, 17 June, 2016

Quality Control: Has Your DFT Code Been Δ-approved?

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

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Invited talk

Conference / event / venue

2016 TMS Annual Meeting & Exhibition

Nashville, TN, USA

Sunday, 14 February, 2016 to Thursday, 18 February, 2016

Error overload? Dealing with DFT uncertainty

K. Lejaeghere

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Invited talk

Conference / event / venue

visit to the group of Prof. Jörg Neugebauer at MPIE Düsseldorf

Düsseldorf, Germany

Tuesday, 14 June, 2016

Density-functional theory and experiment: a match made in heaven or in hell?

Conference / event / venue

Orthogonal band gap engineering of UiO-66 frameworks through active control of defects

Conference / event / venue

Understanding intrinsic light absorption properties of UiO-66 frameworks: A combined theoretical and experimental study

Conference / event / venue

Density-functional theory and experiment: a match made in heaven or in hell?

Conference / event / venue

Orthogonal band gap engineering in Zr based MOFs

Conference / event / venue

Quality Control: Has Your DFT Code Been Δ-approved?

Conference / event / venue

Error overload? Dealing with DFT uncertainty

Conference / event / venue

Phase transformations in binary Fe-N alloys

Mutation of the electronic quantum genome by approximation effects

How much is left to discover? Crystal prediction in a quaternary search space

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K. Lejaeghere

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