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Journal of the American Chemical Society|January 17, 2025
Ab Initio Predictions of Adsorption in Flexible Metal-Organic Frameworks for Water Harvesting ApplicationsRuben Goeminne, Veronique Van SpeybroeckJournal of Chemical Theory and Computation|August 29, 2023
DFT-Quality Adsorption Simulations in Metal-Organic Frameworks Enabled by Machine Learning PotentialsRuben Goeminne, Louis Vanduyfhuys, Veronique Van Speybroeck, et al.Advanced Materials (Deerfield Beach, Fla.)|December 26, 2024
Computational Modeling of Reticular Materials: The Past, the Present, and the FutureWim Temmerman, Ruben Goeminne, Kuber Singh Rawat, et al.Journal of the American Chemical Society|March 15, 2021
Charting the Complete Thermodynamic Landscape of Gas Adsorption for a Responsive Metal-Organic FrameworkRuben Goeminne, Simon Krause, Stefan Kaskel, et al.Nature Communications|February 23, 2023
Nuclear quantum effects on zeolite proton hopping kinetics explored with machine learning potentials and path integral molecular dynamicsMassimo Bocus, Ruben Goeminne, Aran Lamaire, et al.Journal of Chemical Theory and Computation|June 10, 2024
Reaching Quantum Accuracy in Predicting Adsorption Properties for Ethane/Ethene in Zeolitic Imidazolate Framework-8 at Low Pressure RegimeSiddharth Ravichandran, Mahsa Najafi, Ruben Goeminne, et al.Nature Communications|November 18, 2024
Water motifs in zirconium metal-organic frameworks induced by nanoconfinement and hydrophilic adsorption sitesAran Lamaire, Jelle Wieme, Sander Vandenhaute, et al.Nature Communications|May 9, 2024
Gas adsorption and framework flexibility of CALF-20 explored via experiments and simulationsRama Oktavian, Ruben Goeminne, Lawson T Glasby, et al.Advanced Materials (Deerfield Beach, Fla.)|June 13, 2025
Design of a Tunable, High-performance Mixed Matrix Membrane Platform for Gas SeparationsXiaoyu Tan, Sven Robijns, Aran Lamaire, et al.Pageof 1