Kurt Lejaeghere - Publications, H-index & Citations

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Kurt Lejaeghere

ocas nv

18H-index

48Paper Count

4.2KCitation Count

Published Papers 18

Publication Date

Machine learning for complex microstructures - latent features as an alternative to physical features in steel structure-property relationships

Materials Characterization

IF5.5

2025-10-09

PREAI

Kurt Lejaeghere; Joshua Stuckner; Koenraad Theuwissen; Steven M. Arnold; Lode Duprez

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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

NATURE REVIEWS PHYSICS

IF39.5

2023-11-14

OAAI

Bosoni, Emanuele; Beal, Louis; Bercx, Marnik; Blaha, Peter; Bluegel, Stefan; Broeder, Jens; Callsen, Martin; Cottenier, Stefaan; Degomme, Augustin; Dikan, Vladimir; Eimre, Kristjan; Flage-Larsen, Espen; Fornari, Marco; Garcia, Alberto; Genovese, Luigi; Giantomassi, Matteo; Huber, Sebastiaan P.; Janssen, Henning; Kastlunger, Georg; Krack, Matthias; Kresse, Georg; Kuehne, Thomas D.; Lejaeghere, Kurt; Madsen, Georg K. H.; Marsman, Martijn; Marzari, Nicola; Michalicek, Gregor; Mirhosseini, Hossein; Mueller, Tiziano M. A.; Petretto, Guido; Pickard, Chris J.; Ponce, Samuel; Rignanese, Gian-Marco; Rubel, Oleg; Ruh, Thomas; Sluydts, Michael; Vanpoucke, Danny E. P.; Vijay, Sudarshan; Wolloch, Michael; Wortmann, Daniel; Yakutovich, Aliaksandr V.; Yu, Jusong; Zadoks, Austin; Zhu, Bonan; Pizzi, Giovanni

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Towards accurate processing-structure-property links using deep learning

SCRIPTA MATERIALIA

IF5.6

2022-04-01

PREAI

Larmuseau, Michiel; Theuwissen, Koenraad; Lejaeghere, Kurt; Duprez, Lode; Dhaene, Tom; Cottenier, Stefaan

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The ABINIT project: Impact, environment and recent developments

COMPUTER PHYSICS COMMUNICATIONS

IF3.4

2020-03-01

456

OAAI

Gonze, Xavier; Amadon, Bernard; Antonius, Gabriel; Arnardi, Frederic; Baguet, Lucas; Beuken, Jean-Michel; Bieder, Jordan; Bottin, Francois; Bouchet, Johann; Bousquet, Eric; Brouwer, Nils; Bruneval, Fabien; Brunin, Guillaume; Cavignac, Theo; Charraud, Jean-Baptiste; Chen, Wei; Cote, Michel; Cottenier, Stefaan; Denier, Jules; Geneste, Gregory; Ghosez, Philippe; Giantomassi, Matteo; Gillet, Yannick; Gingras, Olivier; Hamann, Donald R.; Hautier, Geoffroy; He, Xu; Helbig, Nicole; Holzwarth, Natalie; Jia, Yongchao; Jollet, Francois; Lafargue-Dit-Hauret, William; Lejaeghere, Kurt; Marques, Miguel A. L.; Martin, Alexandre; Martins, Cyril; Miranda, Henrique P. C.; Naccarato, Francesco; Persson, Kristin; Petretto, Guido; Planes, Valentin; Pouillon, Yann; Prokhorenko, Sergei; Ricci, Fabio; Rignanese, Gian-Marco; Romero, Aldo H.; Schmitt, Michael Marcus; Torrent, Marc; van Setten, Michiel J.; Van Troeye, Benoit; Verstraete, Matthieu J.; Zerah, Gilles; Zwanziger, Josef W.

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A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit

JOURNAL OF ALLOYS AND COMPOUNDS

IF6.3

2019-02-01

OAAI

De Waele, Sam; Lejaeghere, Kurt; Leunis, Elke; Duprez, Lode; Cottenier, Stefaan

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Electronic properties of heterogenized Ru(ii) polypyridyl photoredox complexes on covalent triazine frameworks

JOURNAL OF MATERIALS CHEMISTRY A

IF9.5

2019-01-01

PREAI

De Vos, Arthur; Lejaeghere, Kurt; Miranda, Francesco Muniz; Stevens, ChristianV.; Van der Voort, Pascal; Van Speybroeck, Veronique

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Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks

NATURE COMMUNICATIONS

IF15.7

2018-11-21

OAAI

Wieme, J.; Lejaeghere, K.; Kresse, G.; Van Speybroeck, V.

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Exploring Lanthanide Doping in UiO-66: A Combined Experimental and Computational Study of the Electronic Structure

INORGANIC CHEMISTRY

IF4.7

2018-04-16

OAAI

Hendrickx, Kevin; Joos, Jonas J.; De Vos, Arthur; Poelman, Dirk; Smet, Philippe F.; Van Speybroeck, Veronique; Van Der Voort, Pascal; Lejaeghere, Kurt

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Missing Linkers: An Alternative Pathway to UiO-66 Electronic Structure Engineering

CHEMISTRY OF MATERIALS

IF7

2017-03-29

203

OAAI

De Vos, Arthur; Hendrickx, Kevin; Van der Voort, Pascal; Van Speybroeck, Veronique; Lejaeghere, Kurt

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Error estimates for density-functional theory predictions of surface energy and work function

PHYSICAL REVIEW B

IF3.7

2016-12-14

117

OAAI

De Waele, Sam; Lejaeghere, Kurt; Sluydts, Michael; Cottenier, Stefaan

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Precision of Electric-Field Gradient Predictions by Density Functional Theory and Implications for the Nuclear Quadrupole Moment and Its Error Bar of the 111Cd 245 keV 5/2+ Level

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2016-09-30

OAAI

Errico, Leonardo; Lejaeghere, Kurt; Runco, Jorge; Mishra, S. N.; Renteria, Mario; Cottenier, Stefaan

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Is the error on first-principles volume predictions absolute or relative?

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2016-05-01

OAAI

Lejaeghere, Kurt; Vanduyfhuys, Louis; Verstraelen, Toon; Van Speybroeck, Veronique; Cottenier, Stefaan

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First-Principles Study of Antisite Defect Configurations in ZnGa2O4:Cr Persistent Phosphors

INORGANIC CHEMISTRY

IF4.7

2016-02-11

102

PREAI

De Vos, Arthur; Lejaeghere, Kurt; Vanpoucke, Danny E. P.; Joos, Jonas J.; Smet, Philippe F.; Hemelsoet, Karen

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Understanding Intrinsic Light Absorption Properties of UiO-66 Frameworks: A Combined Theoretical and Experimental Study

INORGANIC CHEMISTRY

IF4.7

2015-11-05

170

PREAI

Hendrickx, Kevin; Vanpoucke, Danny E. P.; Leus, Karen; Lejaeghere, Kurt; Van Yperen-De Deyne, Andy; Van Speybroeck, Veronique; Van Der Voort, Pascal; Hemelsoet, Karen

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Mechanical Properties from Periodic Plane Wave Quantum Mechanical Codes: The Challenge of the Flexible Nanoporous MIL-47(V) Framework

JOURNAL OF PHYSICAL CHEMISTRY C

IF3.2

2015-10-06

OAAI

Vanpoucke, Danny E. P.; Lejaeghere, Kurt; Van Speybroeck, Veronique; Waroquier, Michel; Ghysels, An

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Carbon capture turned upside down: high-temperature adsorption & low-temperature desorption (HALD)

ENERGY & ENVIRONMENTAL SCIENCE

IF30.8

2015-01-01