Ghent University Academic Bibliography

A signal‐to‐noise‐ratio‐based automated algorithm to accelerate kinetic Monte Carlo convergence in basic polymerizations

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

(2024) ADVANCED THEORY AND SIMULATIONS. 7(2).

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Procedures and guidelines for inputting and output smoothening of kinetic Monte Carlo distributions

Lies De Keer, Mariya Edeleva (UGent) , Freddy L. Figueira (UGent) , Pablo Reyes Isaacura (UGent) , Dagmar D'hooge (UGent) and Paul Van Steenberge (UGent)

(2022) ADVANCED THEORY AND SIMULATIONS. 5(5).

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Journal Article
A1
open access

Modeling gas adsorption in flexible metal-organic frameworks via hybrid Monte Carlo/molecular dynamics schemes

Sven Rogge (UGent) , Ruben Goeminne (UGent) , Ruben Demuynck, Juan José Gutiérrez Sevillano (UGent) , Steven Vandenbrande (UGent) , Louis Vanduyfhuys (UGent) , Michel Waroquier (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2019) ADVANCED THEORY AND SIMULATIONS. 2(4).

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Miscellaneous

Frontiers in modeling metal-organic frameworks

Bartolomeo Civalleri, Guillaume Maurin and Veronique Van Speybroeck (UGent)

(2019) ADVANCED THEORY AND SIMULATIONS. 2(11).

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Thermodynamic modeling of the selective adsorption of carbon dioxide over methane in the mechanically constrained breathing MIL‐53(Cr)

Louis Vanduyfhuys (UGent) and Guillaume Maurin

(2019) ADVANCED THEORY AND SIMULATIONS. 2(11).

Academic Bibliography

A signal‐to‐noise‐ratio‐based automated algorithm to accelerate kinetic Monte Carlo convergence in basic polymerizations

Procedures and guidelines for inputting and output smoothening of kinetic Monte Carlo distributions

Modeling gas adsorption in flexible metal-organic frameworks via hybrid Monte Carlo/molecular dynamics schemes

Frontiers in modeling metal-organic frameworks

Thermodynamic modeling of the selective adsorption of carbon dioxide over methane in the mechanically constrained breathing MIL‐53(Cr)

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