L. Vanduyfhuys
Modeling the stability of zeolitic imidazolate frameworks (ZIFs) with the ACKS2 model
Accurate parameterization of non-bonded interactions in nanoporous materials
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
On the comparison of different barostat implementations for the prediction of the breathing behavior in MIL-53 frameworks
ISBN/ISSN:
Poster
Conference / event / venue
MolSim 2015: Understanding Molecular Simulations
Amsterdam, The Netherlands
Monday, 5 January, 2015 to Friday, 16 January, 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
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
Pages
