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5 results in Authors: Veronique Van Speybroeck

Theoretical and Computational Chemistry

Machine Learning Potentials for Metal-Organic Frameworks using an Incremental Learning Approach

Sander Vandenhaute, Maarten Cools-Ceuppens, Simon DeKeyser, Toon Verstraelen, Veronique Van Speybroeck

Version 1 posted 04 November 2022

784

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1

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Theoretical and Computational Chemistry

OGRe: Optimal grid refinement protocol for accurate free energy surfaces and its application to proton hopping in zeolites and 2D COF stacking

Sander Borgmans, Sven M.J. Rogge, Louis Vanduyfhuys, Veronique Van Speybroeck

Version 1 posted 18 September 2023

183

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Unraveling the nature of adsorbed isobutene in H-SSZ-13 with operando simulations at the top of Jacob’s ladder

Massimo Bocus, Sander Vandenhaute, Veronique Van Speybroeck

Version 1 posted 10 July 2024

144

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Materials Science

Absorbing stress via molecular crumple zones: Strain engineering flexibility into the rigid UiO-66 material

Sven Rogge, Sander Borgmans, Veronique Van Speybroeck

Version 1 posted 13 October 2022

116

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Unraveling the mechanisms of Zirconium MOFs based Mixed Matrix Membranes Preventing Polysulfide Shuttling

Wenqing Lu, Zhenfeng Pang, Aran Lamaire, Fu Liu, Shan Dai, Moisés L. Pinto, Rezan Demir-Cakan, Kong Ooi Tan, Veronique Van Speybroeck, Vanessa Pimenta, Christian Serre

Version 1 posted 23 August 2023

267

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