Ruben Goeminne
PhD Fellow (WE05) +32 (0)9 264 66 19 Tech Lane Ghent Science Park, Campus Ardoyen Technologiepark 46, 9052 Zwijnaarde, Belgium Office n°024 |
Quick links
Go to A1 Publications / Other Publications / Invited talks / Conference talks / Posters / Funding
Published
2022
Accurately determining the phase transition temperature of CsPbI3 via RPA calculations and phase-transferable machine learning potentials , , Chemistry of Materials , 34, 19, 8561–8576 , 2022 , IF: 10.508 , 48/345 [Q1]
2021
Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal-Organic Framework , , 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 , , Advanced Theory and Simulations , 2 (4), 1800177 , 2019 , IF: 2.951 , 24/71 [Q2]
Dissertations
(D2) , The development of hybrid MC/MD schemes to model the adsorption of guest molecules in flexible metal-organic frameworks , , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen , 2018
2021
Invited talk
Methane adsorption in DUT-49: an exploration of the osmotic landscape , , Inorganic chemistry group , Dresden, Germany , do, 01/04/2021 2022
Accurately determining the transition temperature of metal halide perovskites via RPA calculations and phase-transferable machine learning potentials , , DFT2022 , Brussels, Belgium , ma, 29/08/2022 t/m vr, 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 , , NCCC XXIII , Noordwijkerhout,The Netherlands , ma, 09/05/2022 t/m wo, 11/05/2022