Ghent University Academic Bibliography

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Your filters: cql: author="Vanduyfhuys, Louis" or (type any "bookEditor issueEditor" and editor="Vanduyfhuys, Louis")

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Reaching quantum accuracy in predicting adsorption properties for ethane/ethene in ZIF-8 at the low-pressure regime

Siddharth Ravichandran (UGent) , Louis Vanduyfhuys (UGent) and Veronique Van Speybroeck (UGent)

(2023) EUROMOF 2023.
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Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations

Veronique Van Speybroeck (UGent) , Massimo Bocus (UGent) , Pieter Cnudde (UGent) and Louis Vanduyfhuys (UGent)

(2023) ACS CATALYSIS. 13(17). p.11455-11493
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DFT-quality adsorption simulations in metal-organic frameworks enabled by machine learning potentials

Ruben Goeminne (UGent) , Louis Vanduyfhuys (UGent) , Veronique Van Speybroeck (UGent) and Toon Verstraelen (UGent)

(2023) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 19(18). p.6313-6325
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OGRe : optimal grid refinement protocol for accurate free energy surfaces and its application in proton hopping in zeolites and 2D COF stacking

Sander Borgmans (UGent) , Sven Rogge (UGent) , Louis Vanduyfhuys (UGent) and Veronique Van Speybroeck (UGent)

(2023) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 19(24). p.9032-9048
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- C3
Applying classical Density Functional Theory to efficiently characterize adsorption of (non-)spherically symmetric guests in MOFs

Vic De Ridder (UGent) and Louis Vanduyfhuys (UGent)

(2022) FrenchMOF2022 : French MOFs, COFs and Porous Polymers conference, Abstracts.

Academic Bibliography

Reaching quantum accuracy in predicting adsorption properties for ethane/ethene in ZIF-8 at the low-pressure regime

Operando modeling of zeolite-catalyzed reactions using first-principles molecular dynamics simulations

DFT-quality adsorption simulations in metal-organic frameworks enabled by machine learning potentials

OGRe : optimal grid refinement protocol for accurate free energy surfaces and its application in proton hopping in zeolites and 2D COF stacking

Applying classical Density Functional Theory to efficiently characterize adsorption of (non-)spherically symmetric guests in MOFs

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