L. Vanduyfhuys
Temperature dependence of the free energy of nanoporous materials
Screening potentially interesting covalent organic frameworks by accurate force field simulations
Deriving force fields to describe gas adsorption in nanoporous materials with minimal effort
Master of Science in Engineering Physics
2017
Combining experimental and computational research to investigate the properties of Metal-Organic Frameworks
Master of Science in Engineering Physics
2017
Application of flexible metal-organic frameworks as nanosized shock absorbers
Ab initio computed AIM densities as the basis for complete non-covalent force fields
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Poster
Conference / event / venue
Density- and response density-based models for Intermolecular Interactions in Molecular Assemblies and in Solids
Nancy, France
Monday, 20 June, 2016 to Thursday, 23 June, 2016
Density-functional theory and experiment: a match made in heaven or in hell?
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Talk
Conference / event / venue
ICAMM 2016
Rennes, France
Monday, 5 September, 2016 to Wednesday, 7 September, 2016
Investigating the heat capacity of metal-organic frameworks via path integral molecular dynamics simulations
ISBN/ISSN:
Poster
Conference / event / venue
CECAM/Psi-k school on Path Integral Quantum Mechanics: Theory, Simulation and Application
Lausanne, Switzerland
Monday, 13 June, 2016 to Friday, 17 June, 2016
Unraveling the breathing in Metal-Organic Frameworks: from force fields to thermodynamic insights
ISBN/ISSN:
Talk
Conference / event / venue
EUROMAT2015
Warsaw, Poland
Sunday, 20 September, 2015 to Thursday, 24 September, 2015
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