L. Vanduyfhuys
Extracting complete non-covalent force fields from ab initio computed electron densities
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Poster
Conference / event / venue
Euromat2015
Warschau, Poland
Monday, 21 September, 2015 to Wednesday, 23 September, 2015
Extracting complete non-covalent force fields from ab initio computed electron densities
ISBN/ISSN:
Poster
Conference / event / venue
Quantum Chemistry in Belgium 12
Leuven, Belgium
Tuesday, 16 February, 2016
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
Benchmarking free energy methods for breathing in Metal-Organic Frameworks
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Poster
Conference / event / venue
IAP Annual Meeting
Hasselt, Belgium
Friday, 11 September, 2015
Minimal Basis Iterative Stockholder: a Concise and Reliable Representation of the Electron Density
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Poster
Conference / event / venue
Annual IAP Meeting
Hasselt, Belgium
Friday, 11 September, 2015
Minimal Basis Iterative Stockholder: a Self-Consistent Hirshfeld Method Tailored to Force-Field Development
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Talk
Conference / event / venue
Chemical Physics Symposium
Waterloo, ON, Canada
Friday, 6 November, 2015 to Sunday, 8 November, 2015
Recent Developments in Hirshfeld Density Partitioning Methods
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Talk
Conference / event / venue
FEMS EUROMAT 2015
Warsaw, Poland
Sunday, 20 September, 2015 to Thursday, 24 September, 2015
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