Ruben Goeminne

Publications

A1 publications

Published

2025

[A1 Publication] Design of a Tunable, High-performance Mixed Matrix Membrane Platform for Gas Separations

Authors

Tan X.; Robijns S.; Lamaire A.; Goeminne R.; De Witte N.; Dickmann M.; Verbeke R.; Van der Donck T.; de Oliveira Silva R.; Ke Q.; Aslam I.; Van Goethem C.; Donckels T.; Helm R.; Sakellariou D.; Van Assche T.; Van Speybroeck V.; Dusselier M.; Vankelecom I.

Advanced Materials 2025. 37(34): 2502393. IF: 26.8 6/239 [Q1] (IF & ranking 2024)

[A1 Publication] Ab Initio Predictions of Adsorption in Flexible Metal–Organic Frameworks for Water Harvesting Applications

Authors

Goeminne R.; Van Speybroeck V.

Journal of the American Chemical Society 2025. 147(4): 3615 - 3630. IF: 15.7 17/239 [Q1] (IF & ranking 2024)

https://doi.org/10.1021/jacs.4c15287

[A1 Publication] Computational Modeling of Reticular Materials: The Past, the Present, and the Future

Authors

Temmerman W.; Goeminne R.; Rawat K. S.; Van Speybroeck V.

Advanced Materials 2025. 37(52): 2412005. IF: 26.8 6/239 [Q1] (IF & ranking 2024)

https://doi.org/10.1002/adma.202412005

2024

[A1 Publication] Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sites

Authors

Lamaire A.; Wieme J.; Vandenhaute S.; Goeminne R.; Rogge S. M. J.; Van Speybroeck V.

Nature Communications 2024. 15(1): 9997. IF: 15.7 10/136 [Q1]

http://dx.doi.org/10.1038/s41467-024-54358-z

[A1 Publication] Reaching quantum accuracy in predicting adsorption properties for ethane/ethene in ZIF-8 at the low pressure regime

Authors

Ravichandran S.; Najafi M.; Goeminne R.; Denayer J. F. M.; Van Speybroeck V.; Vanduyfhuys L.

Journal of Chemical Theory and Computation 2024. 20(12): 5225 - 5240. IF: 5.5 60/185 [Q2]

https://doi.org/10.1021/acs.jctc.4c00293

[A1 Publication] Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations

Authors

Oktavian R.; Goeminne R.; Glasby L. T.; Song P.; Huynh R.; Qazvini O. T.; Ghaffari-Nik O.; Masoumifard N.; Cordiner J. L.; Hovington P.; Van Speybroeck V.; Moghadam P. Z.

Nature Communications 2024. 15(1): 3898. IF: 15.7 10/136 [Q1]

https://doi.org/10.1038/s41467-024-48136-0

2023

[A1 Publication] DFT-Quality Adsorption Simulations in Metal–Organic Frameworks Enabled by Machine Learning Potentials

Authors

Goeminne R.; Vanduyfhuys L.; Van Speybroeck V.; Verstraelen T.

Journal of Chemical Theory and Computation 2023. 19(18): 6313 - 6325. IF: 5.7 52/178 [Q2]

http://dx.doi.org/10.1021/acs.jctc.3c00495

[A1 Publication] Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics

Authors

Bocus M.; Goeminne R.; Lamaire A.; Cools-Ceuppens M.; Verstraelen T.; Van Speybroeck V.

Nature Communications 2023. 14(1): 1008. IF: 14.7 8/134 [Q1]

https://doi.org/10.1038/s41467-023-36666-y

2022

[A1 Publication] Accurately Determining the Phase Transition Temperature of CsPbI3 via Random-Phase Approximation Calculations and Phase-Transferable Machine Learning Potentials

Authors

Braeckevelt T.; Goeminne R.; Vandenhaute S.; Borgmans S.; Verstraelen T.; Steele J. A.; Roeffaers M.; Hofkens J.; Rogge S. M. J.; Van Speybroeck V.

Chemistry of Materials 2022. 34(19): 8561 - 8576. IF: 8.6 63/344 [Q1]

https://doi.org/10.1021/acs.chemmater.2c01508

2021

[A1 Publication] Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal-Organic Framework

Authors

Goeminne R.; Krause S.; Kaskel S.; Verstraelen T.; Evans J. D.

Journal of the American Chemical Society 2021. 143(11): 4243 - 4247. IF: 16.383 16/179 [Q1]

https://doi.org/10.1021/jacs.1c00522

2019

[A1 Publication] Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo / Molecular Dynamics Schemes

Authors

Rogge S. M. J.; Goeminne R.; Demuynck R.; Vandenbrande S.; Vanduyfhuys L.; Waroquier M.; Verstraelen T.; Van Speybroeck V.

Advanced Theory and Simulations 2019. 2(4): 1800177.

http://dx.doi.org/10.1002/adts.201800177

Other publications

Dissertations [MSc and PhD]

PhD thesis

2023

[PhD Thesis] Development of accurate and reliable methods for in silico modeling of adsorption in nanoporous materials

Authors

Goeminne R.

Supervisor(s):

prof. dr. ir. Toon Verstraelen

Doctor of Science: Physics, 10/07/2023.

Master thesis

2018

[MSc Thesis] The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks

Authors

Goeminne R.

Supervisor(s):

prof. dr. ir. Veronique Van Speybroeck

prof. dr. ir. Toon Verstraelen

Master of Science in Engineering Physics, 2018.

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Keynotes

2025

[Keynote] New frontiers in modeling adsorption in metal-organic frameworks accounting for flexibility and accurate intermolecular interactions

Authors

Van Speybroeck V.; Goeminne R.; Ravichandran S.; Verstraelen T.; Vanduyfhuys L.

EuroMOF2025: 6th European Conference on Metal Organic Frameworks and Porous Polymers, Heraklion, GR, 21/09/2025 - 24/09/2025

Invited talks

2021

[Invited talk] Methane adsorption in DUT-49: an exploration of the osmotic landscape

Authors

Goeminne R.

Inorganic chemistry group, Dresden, DE, 01/04/2021

Talks

2025

[Talk] Quantitatively predicting the adsorption isotherm of water in H-ZSM-5 using reactive machine learning potentials

Authors

Bocus M.; Goeminne R.; Vandenhaute S.; Van Speybroeck V.

21st International Zeolite Conference (IZC), Dalian Shi, CN, 14/07/2025 - 18/07/2025

2024

[Talk] DFT-Quality Adsorption Simulations in Rigid and Flexible Metal–Organic Frameworks Enabled by Machine Learning Potentials

Authors

Goeminne R.; Vanduyfhuys L.; Verstraelen T.; Van Speybroeck V.

MOFSIM2024, Montpellier, FR, 10/04/2024 - 12/04/2024

2023

[Talk] Nuclear quantum effects in proton transfer reactions

Authors

Lamaire A.; Bocus M.; Goeminne R.; Vandenhaute S.; Cools-Ceuppens M.; Verstraelen T.; Van Speybroeck V.

Quantum2 on machine learning enhanced sampling, Lausanne, CH, 29/11/2023 - 01/12/2023

2022

[Talk] Accurately determining the transition temperature of metal halide perovskites via RPA calculations and phase-transferable machine learning potentials

Authors

Braeckevelt T.; Goeminne R.; Vandenhaute S.; Borgmans S.; Verstraelen T.; Steele J. A.; Roeffaers M.; Hofkens J.; Rogge S. M. J.; Van Speybroeck V.

19th International Conference on Density Functional Theory and its Applications (DFT2022), Brussels, BE, 28/08/2022 - 02/09/2022

[Talk] The influence of nuclear quantum effects on proton hopping kinetics in the H-SSZ-13 zeolite through ab initio derived machine learning potentials

Authors

Bocus M.; Goeminne R.; Lamaire A.; Cools-Ceuppens M.; Verstraelen T.; Van Speybroeck V.

NCCC XXIII, Noordwijkerhout, NL, 09/05/2022 - 11/05/2022

Posters

2024

[Poster] Going beyond a pure force field approach to predict adsorption properties in MOFs in the low pressure regime with quantum accuracy

Authors

Ravichandran S.; Goeminne R.; Vanduyfhuys L.; Van Speybroeck V.

MOFSIM2024, Montpellier, FR, 10/04/2024 - 12/04/2024

Contact information

Technologiepark-Zwijnaarde 46
9052 Zwijnaarde
Belgium

Ruben.Goeminne@UGent.be

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Ruben Goeminne

Publications

A1 publications

Published

2025

2024

2023

2022

2021

2019

Other publications

Dissertations [MSc and PhD]

PhD thesis

2023

Master thesis

2018

Invited talks [Honorary lectureships, keynotes, plenary talks and invited talks]

Keynotes

2025

Invited talks

2021

Talks

2025

2024

2023

2022

Posters

2024

Contact information

References