L. Vanduyfhuys
Distilling Entropy from Phonons or Molecular Dynamics simulations: effect of the density of porous materials
Computational CO2 capture from first principles
Ab initio parameterization of van der Waals interactions
Ab initio force fields for flexible nanoporous materials
Elastische anisotropie als predictor voor het ademen van metaal-organische roosters
High-throughput Pareto-zoektocht naar hoogperformante metaal-organische roosters
Modelering van luminescente materialen via moleculaire dynamica van geexciteerde toestanden
Empty host breathing profiles of MIL-53 type frameworks with various cations at the nodal points
Poster
Conference / event / venue
MOF2012
Edinburgh UK
Sunday, 16 September, 2012 to Wednesday, 19 September, 2012
Derivation of generic force field terms & Applications to describe thermodynamics of nanoporous materials
Talk
Conference / event / venue
IAP P7/05 Platform 3 meeting
Namur, Belgium
Thursday, 10 January, 2013