Ruben Goeminne

Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulations

Rama Oktavian, Ruben Goeminne, Lawson T. Glasby et al. · Nature Communications · 2024 · 102 citations · Full text

Natural Sciences, Chemical Engineering, Materials Science +17

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

Sven M. J. Rogge, Ruben Goeminne, Ruben Demuynck et al. · Advanced Theory and Simulations · 2019 · 89 citations · Full text

Natural Sciences, Chemistry, Materials Science +17

DFT-Quality Adsorption Simulations in Metal–Organic Frameworks Enabled by Machine Learning Potentials

Ruben Goeminne, Louis Vanduyfhuys, Véronique Van Speybroeck et al. · Journal of Chemical Theory and Computation · 2023 · 82 citations · Full text

Natural Sciences, Chemical Engineering, Materials Science +17

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

Massimo Bocus, Ruben Goeminne, Aran Lamaire et al. · Nature Communications · 2023 · 68 citations · Full text

Natural Sciences, Chemical Engineering, Chemistry +17

Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal–Organic Framework

Ruben Goeminne, Simon Krause, Stefan Kaskel et al. · Journal of the American Chemical Society · 2021 · 43 citations · Full text

Natural Sciences, Chemistry, Materials Science +17