L. Vanduyfhuys
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 SpeybroeckDerivation and implementation of equations of motion for isothermal and isobaric Molecular Dynamics simulations
Master of Science in Engineering Physics
2014
A force field investigation of the influence of the metal on the breathing behaviour of MIL-53 type materials
ISBN/ISSN:
Talk
Conference / event / venue
MACADEMIA Annual Meeting
Brussels, Belgium
Monday, 10 June, 2013 to Tuesday, 11 June, 2013