S. Vandenhaute

Exploring the black-to-yellow phase transformation mechanism of metal halide perovskites via machine learning potentials

It's all about time: Understanding the impact of coarse graining on accelerated diffusion in nanoporous materials

Investigating adsorption-induced flexibility in metal-organic frameworks using machine learning potentials

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

ISBN/ISSN:

Talk

Conference / event / venue

MMC

Oxford, United Kingdom

Tuesday, 4 June, 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

ISBN/ISSN:

Talk

Conference / event / venue

MOF2018

Auckland, New Zealand

Sunday, 9 December, 2018 to Thursday, 13 December, 2018

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

ISBN/ISSN:

Invited talk

Conference / event / venue

CECAM workshop: Multi-scale modelling of flexible and disordered porous materials

Paris, France

Monday, 11 June, 2018 to Wednesday, 13 June, 2018

Constructing accurate coarse-grained force fields by variational minimization: The subtle balance between accuracy and sparseness

S. Vandenhaute

Master of Science in Engineering Physics

2018

Supervisors

Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. Toon Verstraelen

Sander Vandenhaute

Please refer to my personal page for more information.

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