A. Ghysels
Modeling oxygen diffusion through biological lipid membranes using inverse Monte Carlo
Model reduction by coarse-graining the diffusion propagator in complex media
Diffusion of mixtures of protic molecules and hydrocarbons through small pore zeolites
Metal-organic frameworks under pressure: A thermodynamic exploration
ISBN/ISSN:
Talk
Conference / event / venue
MolSim 2016: Understanding Molecular Simulations
Amsterdam, The Netherlands
Friday, 8 January, 2016
Benchmarking free energy methods for breathing in Metal-Organic Frameworks
ISBN/ISSN:
Poster
Conference / event / venue
IAP Annual Meeting
Hasselt, Belgium
Friday, 11 September, 2015
Diffusion channels for small molecules in nanoporous systems with blocked sites
Master of Science in Engineering Physics
2016
Benchmarking free energy methods for breathing in 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
Understanding The Flexibility In Metal-Organic Frameworks From molecular To Thermodynamic Insights
ISBN/ISSN:
Keynote
Conference / event / venue
CHITEL2015
Torino, Italy
Sunday, 26 July, 2015 to Friday, 31 July, 2015
New quasi-1D materials: DFT-study of breathing metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
IAP P7/05 Annual meeting 2014
Louvain-La-Neuve, Belgium
Friday, 19 September, 2014
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