J. Wieme
Accurate electronic-structure investigation of the role of dispersion in competitive water adsorption in a rigid metal-organic framework
Metal-organic frameworks under pressure: A thermodynamic exploration
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Talk
Conference / event / venue
MolSim 2016: Understanding Molecular Simulations
Amsterdam, The Netherlands
Friday, 8 January, 2016
Advanced molecular simulations to accurately characterize metal-organic frameworks
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Poster
Conference / event / venue
MolSim
Amsterdam, Netherlands
Monday, 4 January, 2016 to Friday, 15 January, 2016
Advanced molecular simulations to accurately characterize metal-organic frameworks
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Poster
Conference / event / venue
IAP Annual Meeting
Hasselt, Belgium
Friday, 11 September, 2015
Advanced molecular simulations to accurately characterize metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
Hands-on workshop density-functional theory and beyond: First-principles simulations of molecules and materials
Berlin, Germany
Monday, 13 July, 2015 to Thursday, 23 July, 2015
Tuning the elastic properties of metal-organic frameworks: between crystal breathing and mechanical robustness
Development of accurate force fields for a Pareto screening of high-performance metal-organic frameworks
Master of Science in Engineering Physics
2015