L. Vanduyfhuys
Ab initio parameterization of van der Waals interactions
High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters
Elastische anisotropie als predictor voor het ademen van metaal-organische roosters
Modelering van luminescente materialen via moleculaire dynamica van geexciteerde toestanden
Modeling the stability of zeolitic imidazolate frameworks (ZIFs) with the ACKS2 model
Ab initio force fields for flexible nanoporous materials
A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
QuickFF: a generally applicable methodology to quickly derive accurate force fields from ab initio input
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ISBN/ISSN: -
Poster
Conference / event / venue
Annual IAP Meeting
Ghent, Belgium
Wednesday, 18 September, 2013
Thermodynamics of adsorption in flexible frameworks with the aid of Monte Carlo simulations
Master of Science in Engineering Physics
2014
Supervisors
Dr. ir. An Ghysels, Prof. Dr. ir. Veronique Van SpeybroeckPages
