V. Van Speybroeck
Towards molecular control of zeolite-catalyzed reactions by advanced molecular simulations mimicking operating conditions
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Talk
Conference / event / venue
IAP 7 - PL3 meeting
Ghent, Belgium
Tuesday, 1 March, 2016
Tuning Vacancy Trapping by Impurities in Si and Ge by High-Throughput Selection
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Talk
Conference / event / venue
IWMCG-8
Spa, Belgium
Sunday, 15 November, 2015 to Wednesday, 18 November, 2015
Predicting sound in planetary inner cores using quantum physics
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Poster
Conference / event / venue
VSC user day
Antwerp, Belgium
Monday, 30 November, 2015
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
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Poster
Conference / event / venue
Quantum Chemistry in Belgium 12
Leuven, Belgium
Tuesday, 16 February, 2016
Catalytic role of UiO-66 and UiO-66-NH2 in Fischer esterification: a mechanistic study
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Poster
Conference / event / venue
NCCC XVII
Noordwijkerhout, The Netherlands
Monday, 7 March, 2016 to Wednesday, 9 March, 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
pKa calculations based on advanced MD simulations
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Poster
Conference / event / venue
CHAINS 2015
Veldhoven, Amsterdam
Tuesday, 1 December, 2015 to Wednesday, 2 December, 2015