Academic Bibliography

Search 200 years of publications by Ghent University researchers.

dr. ir. Ruben Goeminne

Faculty of Engineering and Architecture > Department of Applied physics

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- Journal Article
- A1
- open access
Ab initio predictions of adsorption in flexible metal-organic frameworks for water harvesting applications

Ruben Goeminne (UGent) and Veronique Van Speybroeck (UGent)

(2025) JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 147(4). p.3615-3630
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- A1
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Computational modeling of reticular materials : the past, the present, and the future

Wim Temmerman (UGent) , Ruben Goeminne (UGent) , Kuber Singh Rawat (UGent) and Veronique Van Speybroeck (UGent)

(2025) ADVANCED MATERIALS.
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Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations

Rama Oktavian, Ruben Goeminne (UGent) , Lawson T. Glasby, Ping Song, Racheal Huynh, Omid Taheri Qazvini, Omid Ghaffari-Nik, Nima Masoumifard, Joan L. Cordiner, Pierre Hovington, et al.

(2024) NATURE COMMUNICATIONS. 15(1).
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Reaching quantum accuracy in predicting adsorption properties for ethane/ethene in zeolitic imidazolate framework-8 at low pressure regime

Siddharth Ravichandran (UGent) , Mahsa Najafi, Ruben Goeminne (UGent) , Joeri F. M. Denayer, Veronique Van Speybroeck (UGent) and Louis Vanduyfhuys (UGent)

(2024) JOURNAL OF CHEMICAL THEORY AND COMPUTATION. 20(12). p.5225-5240
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- Conference Paper
- C3
Nuclear quantum effects in proton transfer reactions

Aran Lamaire (UGent) , Massimo Bocus (UGent) , Ruben Goeminne (UGent) , Sander Vandenhaute (UGent) , Maarten Cools-Ceuppens (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2023) Quantum2 on machine learning enhanced sampling, Abstracts.
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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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- PhD Thesis
Development of accurate and reliable methods for in silico modeling of adsorption in nanoporous materials

Ruben Goeminne (UGent)

(2023)
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Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics

Massimo Bocus (UGent) , Ruben Goeminne (UGent) , Aran Lamaire (UGent) , Maarten Cools-Ceuppens (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2023) NATURE COMMUNICATIONS. 14(1).
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The influence of nuclear quantum effects on proton hopping kinetics in the H-SSZ-13 zeolite through ab initio derived machine learning potentials

Massimo Bocus (UGent) , Ruben Goeminne (UGent) , Aran Lamaire (UGent) , Maarten Cools-Ceuppens (UGent) , Toon Verstraelen (UGent) and Veronique Van Speybroeck (UGent)

(2022) Netherlands' Catalysis and Chemistry Conference (NCCC), 23rd, Abstracts.
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Accurately determining the transition temperature of metal halide perovskites via RPA calculations and phase-transferable machine learning potentials

Tom Braeckevelt (UGent) , Ruben Goeminne (UGent) , Sander Vandenhaute (UGent) , Sander Borgmans (UGent) , Toon Verstraelen (UGent) , Julian A. Steele, Maarten B. J. Roeffaers, Johan Hofkens, Sven Rogge (UGent) and Veronique Van Speybroeck (UGent)

(2022) Density Functional Theory and its Applications, 19th International Conference, Abstracts.

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