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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- Journal Article
- A1
- open access
Toward an automated convergence tool for kinetic Monte Carlo simulation of conversion, distributions, and their averages in non-dispersed phase linear chain-growth polymerization

Alessandro Trigilio (UGent) , Yoshi Marien (UGent) , Paul Van Steenberge (UGent) and Dagmar D'hooge (UGent)

(2023) INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH. 62(6). p.2583-2593
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Optimal search methods for selecting distributed species in Gillespie-based kinetic Monte Carlo

Alessandro Trigilio (UGent) , Yoshi Marien (UGent) , Mariya Edeleva (UGent) , Paul Van Steenberge (UGent) and Dagmar D'hooge (UGent)

(2022) COMPUTERS & CHEMICAL ENGINEERING. 158.
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Ion beam modification of the Ni-Si solid-phase reaction : the influence of substrate damage and nitrogen impurities introduced by ion implantation

K. van Stiphout, Filip Geenen (UGent) , N. M. Santos, S. M. C. Miranda, V. Joly, J. Demeulemeester, C. Mocuta, C. M. Comrie, Christophe Detavernier (UGent) , L. M. C. Pereira, et al.

(2021) JOURNAL OF PHYSICS D-APPLIED PHYSICS. 54(1).
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Investigation of recombination mechanisms in Cu(In,Ga)Se2 solar cells using numerical modelling

Sheng Yang (UGent) , Samira Khelifi (UGent) , Jessica de Wild, Bart Vermang and Johan Lauwaert (UGent)

(2021) SOLAR ENERGY. 228. p.464-473
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The competition of termination and shielding to evaluate the success of surface-initiated reversible deactivation radical polymerization

Francisco Jose Arraez Hernandez, Paul Van Steenberge (UGent) and Dagmar D'hooge (UGent)

(2020) POLYMERS. 12(6).
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Conformational distributions near and on the substrate during surface-initiated living polymerization : a lattice-based kinetic Monte Carlo approach

Francisco Jose Arraez Hernandez, Paul Van Steenberge (UGent) and Dagmar D'hooge (UGent)

(2020) MACROMOLECULES. 53(12). p.4630-4648
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Can europium atoms form luminescent centres in diamond : a combined theoretical-experimental study

Danny Vanpoucke (UGent) , Shannon S. Nicley, Jorne Raymakers, Wouter Maes and Ken Haenen

(2019) DIAMOND AND RELATED MATERIALS. 94. p.233-241
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Linker functionalization in MIL-47(V)-R metal-organic frameworks : understanding the electronic structure

Danny Vanpoucke (UGent)

(2017) JOURNAL OF PHYSICAL CHEMISTRY C. 121(14). p.8014-8022
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Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization

Gilles Desmet (UGent) , Yoshi Marien (UGent) , Paul Van Steenberge (UGent) , Dagmar D'hooge (UGent) , Marie-Françoise Reyniers (UGent) and Guy Marin (UGent)

(2017) POLYMER CHEMISTRY. 8(46). p.7143-7150

Academic Bibliography

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

Toward an automated convergence tool for kinetic Monte Carlo simulation of conversion, distributions, and their averages in non-dispersed phase linear chain-growth polymerization

Optimal search methods for selecting distributed species in Gillespie-based kinetic Monte Carlo

Ion beam modification of the Ni-Si solid-phase reaction : the influence of substrate damage and nitrogen impurities introduced by ion implantation

Investigation of recombination mechanisms in Cu(In,Ga)Se2 solar cells using numerical modelling

The competition of termination and shielding to evaluate the success of surface-initiated reversible deactivation radical polymerization

Conformational distributions near and on the substrate during surface-initiated living polymerization : a lattice-based kinetic Monte Carlo approach

Can europium atoms form luminescent centres in diamond : a combined theoretical-experimental study

Linker functionalization in MIL-47(V)-R metal-organic frameworks : understanding the electronic structure

Ab initio based kinetic Monte Carlo analysis to unravel the propagation kinetics in vinyl acetate pulsed laser polymerization

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