Recent Developments in Hirshfeld Density Partitioning Methods
ISBN/ISSN:
Talk
Conference / event / venue
FEMS EUROMAT 2015
Warsaw, Poland
Sunday, 20 September, 2015 to Thursday, 24 September, 2015
L. Vanduyfhuys
Insights in the Behaviour of Metal-Organic Frameworks through Molecular Modeling: from Force Field Derivation to Thermodynamic Analysis
Wed, 04/11/2015
Ghent University AULA, Voldersstraat, Ghent
Supervisors
Prof. Dr. ir. Veronique Van SpeybroeckAdvanced molecular simulations to accurately characterize metal-organic frameworks
ISBN/ISSN:
Poster
Conference / event / venue
IAP Annual Meeting
Hasselt, Belgium
Friday, 11 September, 2015
Explicit sampling of the unit cell shape for a more accurate estimation of the free energy profile for flexible crystals
Master of Science in Physics and Astronomy
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
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
A comparison of barostats for the mechanical characterisation of MOFs
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
Modeling breathing of Mil-53: from force fields to thermodynamic insights
ISBN/ISSN:
Poster
Conference / event / venue
Flexibility and disorder in Metal-Organic Frameworks
Paris, France
Wednesday, 3 June, 2015 to Friday, 5 June, 2015
DFT and experiment: a match made in heaven or in hell?
ISBN/ISSN:
Invited talk
Conference / event / venue
Abidev2015
Liège, Belgium
Tuesday, 28 April, 2015 to Thursday, 30 April, 2015
Pages
