Ruben Goeminne

Postdoc (EA17)
Ruben.Goeminne@UGent.be
+32 (0)9 264 66 19
​​​​​Tech Lane Ghent Science Park, Campus Ardoyen
Technologiepark 46, 9052 Zwijnaarde, Belgium
Office n°024

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A1 Publications

Published

2023

DFT-Quality Adsorption Simulations in Metal–Organic Frameworks Enabled by Machine Learning Potentials , R. Goeminne, L. Vanduyfhuys, V. Van Speybroeck, T. Verstraelen , Journal of Chemical Theory and Computation (JCTC) , 19, 18, 6313-6325 , 2023
Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamics , M. Bocus, R. Goeminne, A. Lamaire, M. Cools-Ceuppens, T. Verstraelen, V. Van Speybroeck , Nature Communications , 14, 1008 , 2023 , IF: 17.694 , 6/74 [Q1]

2022

Accurately Determining the Phase Transition Temperature of CsPbI3 via Random-Phase Approximation Calculations and Phase-Transferable Machine Learning Potentials , T. Braeckevelt, R. Goeminne, S. Vandenhaute, S. Borgmans, T. Verstraelen, J.A. Steele, M. Roeffaers, J. Hofkens, S.M.J. Rogge, V. Van Speybroeck , Chemistry of Materials , 34, 19, 8561–8576 , 2022 , IF: 8.6 , 63/342 [Q1]

2021

Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal-Organic Framework , R. Goeminne, S. Krause, S. Kaskel, T. Verstraelen, J.D. Evans , JACS (Journal of the American Chemical Society) , 143, 11, 4143–4147 , 2021 , IF: 16.383 , 16/179 [Q1]

2019

Modeling Gas Adsorption in Flexible Metal–Organic Frameworks via Hybrid Monte Carlo / Molecular Dynamics Schemes , S.M.J. Rogge, R. Goeminne, R. Demuynck, J.J. Gutiérrez-Sevillano, S. Vandenbrande, L. Vanduyfhuys, M. Waroquier, T. Verstraelen, V. Van Speybroeck , Advanced Theory and Simulations , 2 (4), 1800177 , 2019 , IF: 2.951 , 24/71 [Q2]

Other Publications

Dissertations

(D1) , Development of accurate and reliable methods for in silico modeling of adsorption in nanoporous materials , R. Goeminne , Supervisor(s): Prof. Dr. ir. T. Verstraelen , 10/07/2023
(D2) , The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks , R. Goeminne , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen , 2018

Keynote / Plenary / Invited talks

2021

Invited talk
Methane adsorption in DUT-49: an exploration of the osmotic landscape , R. Goeminne , Inorganic chemistry group , Dresden, Germany , Thu, 01/04/2021

Talks

2022 - 2023

Accurately determining the transition temperature of metal halide perovskites via RPA calculations and phase-transferable machine learning potentials , T. Braeckevelt, R. Goeminne, S. Vandenhaute, S. Borgmans, T. Verstraelen, J.A. Steele, M. Roeffaers, J. Hofkens, S.M.J. Rogge, V. Van Speybroeck , DFT2022 , Brussels, Belgium , Mon, 29/08/2022 to Fri, 02/09/2022
The influence of nuclear quantum effects on proton hopping kinetics in the H-SSZ-13 zeolite through ab initio derived machine learning potentials , M. Bocus, R. Goeminne, A. Lamaire, M. Cools-Ceuppens, T. Verstraelen, V. Van Speybroeck , NCCC XXIII , Noordwijkerhout,The Netherlands , Mon, 09/05/2022 to Wed, 11/05/2022

Posters

Funding