A. Ghysels
Modellering van diffusie in een nanoporeuze katalysator
De kern van aardachtige planeten onderzoeken met ab initio moleculaire dynamica
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
Implosion-based mapping procedure between all-atom and coarse-grained normal modes
p. 9
Talk
Conference / event / venue
ISQBP 2012 President’s Meeting
Långholmen, Stockholm
Sunday, 17 June, 2012 to Wednesday, 20 June, 2012
Thermodynamics of "breathing" of metal-organic frameworks: free energy model for adsorption induced transitions
p. 169-170
Poster
Conference / event / venue
ICTAC-14
Vlissingen, The Netherlands
Tuesday, 26 June, 2012 to Saturday, 30 June, 2012
Free energy profile of "breathing" flexible porous frameworks
P13
Poster
Conference / event / venue
DFTM2012
Ghent University, Het Pand, Ghent, Belgium
Sunday, 1 April, 2012 to Friday, 6 April, 2012
Introducing BSSE as an extra energy term in molecular dynamics
WP3/8
Poster
Conference / event / venue
IAP Annual Meeting
Leuven, Belgium
Monday, 21 November, 2011 to Tuesday, 22 November, 2011
Monte carlo simulations to understand "breathing" phenomenon of metal organic Frameworks
Abstract PI 269
Poster
Conference / event / venue
Ninth Triennial Congress of the World Association of Theoretical and Computational Chemists (WATOC)
Santiago de Compostela, Spain
Sunday, 17 July, 2011 to Friday, 22 July, 2011
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