Ghent University Academic Bibliography

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

Emanuele Bosoni, Louis Beal, Marnik Bercx, Peter Blaha, Stefan Bluegel, Jens Broeder, Martin Callsen (UGent) , Stefaan Cottenier (UGent) , Augustin Degomme, Vladimir Dikan, et al.

(2024) NATURE REVIEWS PHYSICS. 6. p.45-58
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Towards accurate processing-structure-property links using deep learning

Michiel Larmuseau, Koenraad Theuwissen, Kurt Lejaeghere (UGent) , Lode Duprez, Tom Dhaene (UGent) and Stefaan Cottenier (UGent)

(2022) SCRIPTA MATERIALIA. 211.
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The Abinit project : impact, environment and recent developments

Xavier Gonze, Bernard Amadon, Gabriel Antonius, Frédéric Arnardi, Lucas Baguet, Jean-Michel Beuken, Jordan Bieder, François Bottin, Johann Bouchet, Eric Bousquet, et al.

(2020) COMPUTER PHYSICS COMMUNICATIONS. 248.
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- Journal Article
- A1
- open access
A first-principles reassessment of the Fe-N phase diagram in the low-nitrogen limit

Sam De Waele, Kurt Lejaeghere (UGent) , Elke Leunis, Lode Duprez and Stefaan Cottenier (UGent)

(2019) JOURNAL OF ALLOYS AND COMPOUNDS. 775. p.758-768
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Electronic properties of heterogenized Ru(II) polypyridyl photoredox complexes on covalent triazine frameworks

Arthur De Vos, Kurt Lejaeghere (UGent) , Francesco Muniz Miranda (UGent) , Christian Stevens (UGent) , Pascal Van Der Voort (UGent) and Veronique Van Speybroeck (UGent)

(2019) JOURNAL OF MATERIALS CHEMISTRY A. 7(14). p.8433-8442
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Optical properties of isolated and covalent organic framework-embedded ruthenium complexes

Francesco Muniz Miranda (UGent) , Liesbeth De Bruecker, Arthur De Vos, Flore Vanden Bussche, Christian Stevens (UGent) , Pascal Van Der Voort (UGent) , Kurt Lejaeghere (UGent) and Veronique Van Speybroeck (UGent)

(2019) JOURNAL OF PHYSICAL CHEMISTRY A. 123(32). p.6854-6867
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Thermal unequilibrium of strained black CsPbI3 thin films

Julian A. Steele, Handong Jin, Iurii Dovgaliuk, Robert F. Berger, Tom Braeckevelt (UGent) , Haifeng Yuan, Cristina Martin, Eduardo Solano Minuesa (UGent) , Kurt Lejaeghere (UGent) , Sven Rogge (UGent) , et al.

(2019) SCIENCE. 365(6454). p.679-684
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Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks

Jelle Wieme, Kurt Lejaeghere (UGent) , Georg Kresse and Veronique Van Speybroeck (UGent)

(2018) NATURE COMMUNICATIONS. 9(1).
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Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure

Kevin Hendrickx (UGent) , Jonas Joos (UGent) , Arthur De Vos, Dirk Poelman (UGent) , Philippe Smet (UGent) , Veronique Van Speybroeck (UGent) , Pascal Van Der Voort (UGent) and Kurt Lejaeghere (UGent)

(2018) INORGANIC CHEMISTRY. 57(9). p.5463-5474
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Missing linkers : an alternative pathway to UiO-66 electronic structure engineering

Arthur De Vos, Kevin Hendrickx (UGent) , Pascal Van Der Voort (UGent) , Veronique Van Speybroeck (UGent) and Kurt Lejaeghere (UGent)

(2017) CHEMISTRY OF MATERIALS. 29(7). p.3006-3019

Academic Bibliography

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

Towards accurate processing-structure-property links using deep learning

The Abinit project : impact, environment and recent developments

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

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

Optical properties of isolated and covalent organic framework-embedded ruthenium complexes

Thermal unequilibrium of strained black CsPbI3 thin films

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

Exploring lanthanide doping in UiO-66 : a combined experimental and computational study of the electronic structure

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

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