S.M.J. Rogge

Elucidating the dynamics of the intricate stacking behaviour in 2D covalent organic frameworks at finite temperatures using MD simulations

S. Borgmans, S.M.J. Rogge, L. Vanduyfhuys, J. Wieme, R. Demuynck, C. Stevens, P. Van der Voort, V. Van Speybroeck
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Poster

Conference / event / venue 

MOLSIM2019
Amsterdam, The Netherlands
Thursday, 10 January, 2019

Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential

S.M.J. Rogge, J. Wieme, R. Demuynck, S. Vandenhaute, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, V. Van Speybroeck
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Talk

Conference / event / venue 

MOF2018
Auckland, New Zealand
Sunday, 9 December, 2018 to Thursday, 13 December, 2018

A full computational characterization of the impact of defects on the mechanical stability and gas separation ability of MOFs

S.M.J. Rogge, J. Wieme, R. Demuynck, L. Vanduyfhuys, S. Vandenbrande, T. Verstraelen, M. Waroquier, G. Maurin, V. Van Speybroeck
ISBN/ISSN:
Talk

Conference / event / venue 

docMOF Symposium
Raitenhaslach, Germany
Monday, 30 April, 2018 to Wednesday, 2 May, 2018

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