L. Vanduyfhuys
Semi-analytical thermodynamic model for multicomponent adsorption in nanoporous materials
Impact of nuclear quantum effects on proton mobility in nanoporous materials
Colored-noise thermostats to assess nuclear quantum effects in MD simulations for MOFs: a frequency analysis
Derivation of coarse-grained models for large-scale simulations of flexible materials
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
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