S. Vandenbrande
Unraveling the breathing in Metal-Organic Frameworks: from force fields to thermodynamic insights
ISBN/ISSN:
Talk
Conference / event / venue
IAP PL3 meeting
Mons, Belgium
Thursday, 5 February, 2015
Ab initio simulation of the IR spectrum of COK-18, a chain-like POSiSil
ISBN/ISSN:
Poster
Conference / event / venue
Meeting of the Dutch Zeolite Association: on Hybrids and zeolites
Ghent, Belgium
Tuesday, 7 October, 2014
COK-18, A chain-like POSiSil
ISBN/ISSN:
Talk
Conference / event / venue
Annual IAP - WP2 Meeting (P7/05)
Gent, Belgium
Wednesday, 5 February, 2014
How to Ensure the Accuracy of Polarizable Force Fields?
ISBN/ISSN:
Invited talk
Conference / event / venue
Visit ALGC, Free University of Brussels (VUB)
Brussels, Belgium
Friday, 21 November, 2014
QuickFF: Toward a Generally Applicable Methodology to Quickly Derive Accurate Force Fields for Metal-Organic Frameworks from Ab Initio Input
ISBN/ISSN:
Talk
Conference / event / venue
Telluride Workshop on Many-Body Interactions: From Quantum Mechanics to Force Fields
Telluride, Colorado, United States
Sunday, 15 June, 2014 to Thursday, 19 June, 2014
Ab initio simulation of the IR spectrum of COK-18, a chain-like POSiSil
ISBN/ISSN:
Poster
Conference / event / venue
Annual IAP Meeting (P7/05)
Louvain-La-Neuve, Belgium
Friday, 19 September, 2014
An efficient protocol to derive reliable additive nonbonding force fields
ISBN/ISSN:
Poster
Conference / event / venue
Annual IAP Meeting (P7/05)
Louvain-La-Neuve, Belgium
Friday, 19 September, 2014
How to Ensure the Accuracy of Polarizable Force Fields?
ISBN/ISSN:
Talk
Conference / event / venue
Workshop on Force Fields: From Atoms to Materials
Jülich, Germany
Monday, 3 November, 2014 to Wednesday, 5 November, 2014
Modeling Electrostatic Penetration Effects with Atoms in Molecules
ISBN/ISSN:
Talk
Conference / event / venue
Symposium on Molecular Electrostatic Potentials
Brussels, Belgium
Wednesday, 22 October, 2014
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