Sander Vandenhaute

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

A1 Publications

Published

2023

Machine Learning Potentials for Metal-Organic Frameworks using an Incremental Learning Approach , S. Vandenhaute, M. Cools-Ceuppens, S. DeKeyser, T. Verstraelen, V. Van Speybroeck , npj Computational Materials , 9, 1, 19 , 2023

2022

Accurately Determining the Phase Transition Temperature of CsPbI3 via Random-Phase Approximation 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: 8.6 , 63/342 [Q1]

2021

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]
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]

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 - 2024

Invited talk
Towards modeling spatiotemporal processesin metal-organic frameworks , V. Van Speybroeck, S. Vandenhaute , MOF2022 , Dresden, Germany , Sun, 04/09/2022 to Wed, 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 , Mon, 11/06/2018 to Wed, 13/06/2018

Talks

2022 - 2024

Nuclear quantum effects in proton transfer reactions , A. Lamaire, M. Bocus, R. Goeminne, S. Vandenhaute, M. Cools-Ceuppens, T. Verstraelen, V. Van Speybroeck , Quantum2 on machine learning enhanced sampling , Lausanne, Switzerland , Wed, 29/11/2023 to Fri, 01/12/2023
Machine Learning Potentials for Accurate Simulations of Zeolite-Catalyzed Reactions , M. Bocus, S. Vandenhaute, V. Van Speybroeck , XLIX Congress of the Physical Chemistry Division of the Società Chimica Italiana , Torino, Italy , Mon, 04/09/2023 to Thu, 07/09/2023
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 , Mon, 29/08/2022 to Fri, 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 , Tue, 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 , Sun, 09/12/2018 to Thu, 13/12/2018

Posters

Funding