Quality control: Has your DFT code been Δ-approved? K. Lejaeghere, V. Van Speybroeck, W. Poelmans, S. Cottenier ISBN/ISSN:PosterConference / event / venue IAP Annual MeetingLiège, BelgiumMonday, 12 September, 2016 Read more about Quality control: Has your DFT code been Δ-approved?
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 ISBN/ISSN:Invited talkConference / event / venue EMN Meeting 2016 on Computation and TheoryLas Vegas, NV, USAMonday, 10 October, 2016 to Friday, 14 October, 2016 Read more about Density-functional theory and experiment: a match made in heaven or in hell?
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 talkConference / event / venue EMN Meeting 2016 on Active MatterLas Vegas, NV, USAMonday, 10 October, 2016 to Friday, 14 October, 2016 Read more about Orthogonal band gap engineering of UiO-66 frameworks through active control of defects
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 ISBN/ISSN:PosterConference / event / venue Annual IAP meetingLiège, BelgiumMonday, 12 September, 2016 Read more about Understanding intrinsic light absorption properties of UiO-66 frameworks: A combined theoretical and experimental study
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:TalkConference / event / venue ICAMM 2016Rennes, FranceMonday, 5 September, 2016 to Wednesday, 7 September, 2016 Read more about Density-functional theory and experiment: a match made in heaven or in hell?
Orthogonal band gap engineering in Zr based MOFs A. De Vos, K. Hendrickx, S.M.J. Rogge, K. Lejaeghere, V. Van Speybroeck ISBN/ISSN:TalkConference / event / venue IAP-WP2 meetingZwijnaarde, BelgiumFriday, 17 June, 2016 Read more about Orthogonal band gap engineering in Zr based MOFs
Quality Control: Has Your DFT Code Been Δ-approved? K. Lejaeghere, V. Van Speybroeck, W. Poelmans, S. Cottenier ISBN/ISSN:Invited talkConference / event / venue 2016 TMS Annual Meeting & ExhibitionNashville, TN, USASunday, 14 February, 2016 to Thursday, 18 February, 2016 Read more about Quality Control: Has Your DFT Code Been Δ-approved?
Error overload? Dealing with DFT uncertainty K. Lejaeghere ISBN/ISSN:Invited talkConference / event / venue visit to the group of Prof. Jörg Neugebauer at MPIE DüsseldorfDüsseldorf, GermanyTuesday, 14 June, 2016 Read more about Error overload? Dealing with DFT uncertainty
Phase transformations in binary Fe-N alloys Read more about Phase transformations in binary Fe-N alloys
Mutation of the electronic quantum genome by approximation effects Read more about Mutation of the electronic quantum genome by approximation effects