Sander Vandenhaute

PhD-FWO Fellow (EA17)
​​​​​Tech Lane Ghent Science Park, Campus Ardoyen
Technologiepark 46, 9052 Zwijnaarde, Belgium
Office n°021

A1 Publications

Published

2022

Accurately determining the phase transition temperature of CsPbI3 via RPA calculations and phase-transferable machine learning potentials , T. Braeckevelt, R. Goeminne, S. Vandenhaute, S. Borgmans, T. Verstraelen, J.A. Steele, M. Roeffaers, J. Hofkens, S.M.J. Rogge, V. Van Speybroeck , Chemistry of Materials , 34, 19, 8561–8576 , 2022 , IF: 10.508 , 48/345 [Q1]

2021

Large-Scale Molecular Dynamics Simulations Reveal New Insights Into the Phase Transition Mechanisms in MIL-53(Al) , S. Vandenhaute, S.M.J. Rogge, V. Van Speybroeck , Frontiers in Chemistry , 9, 718920 , 2021 , IF: 5.545 , 59/179 [Q2]
Towards modeling spatiotemporal processes in metal–organic frameworks , V. Van Speybroeck, S. Vandenhaute, A.E.J. Hoffman, S.M.J. Rogge , Trends in Chemistry , 3 (8): 605-619 , 2021 , IF: 22.448 , 9/179 [Q1]

Other Publications

Dissertations

(D2) , Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness , S. Vandenhaute , Supervisor(s): Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen , 2018

Keynote / Plenary / Invited talks

2022

Invited talk
Towards modeling spatiotemporal processesin metal-organic frameworks , V. Van Speybroeck, S. Vandenhaute , MOF2022 , Dresden, Germany , zo, 04/09/2022 t/m wo, 07/09/2022

2018

Invited talk
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations , S.M.J. Rogge, R. Demuynck, A. De Vos, K. Hendrickx, K. Lejaeghere, G. Maurin, S. Vandenbrande, S. Vandenhaute, P. Van der Voort, L. Vanduyfhuys, T. Verstraelen, M. Waroquier, J. Wieme, V. Van Speybroeck , CECAM workshop: Multi-scale modelling of flexible and disordered porous materials , Paris, France , ma, 11/06/2018 t/m wo, 13/06/2018

Talks

2022

Accurately determining the transition temperature of metal halide perovskites via RPA calculations and phase-transferable machine learning potentials , T. Braeckevelt, R. Goeminne, S. Vandenhaute, S. Borgmans, T. Verstraelen, J.A. Steele, M. Roeffaers, J. Hofkens, S.M.J. Rogge, V. Van Speybroeck , DFT2022 , Brussels, Belgium , ma, 29/08/2022 t/m vr, 02/09/2022

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 , MMC , Oxford, United Kingdom , di, 04/06/2019

2018

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 , MOF2018 , Auckland, New Zealand , zo, 09/12/2018 t/m do, 13/12/2018

Posters

Funding