T. Verstraelen
Insights in the Behaviour of MOFs through Molecular Modeling: from Force Field Derivation to Thermodynamic Analysis
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Talk
Conference / event / venue
DAMP
Montpellier, France
Thursday, 17 November, 2016
Assessing the flexibility and loss of crystallinity in metal-organic frameworks from a thermodynamic point of view
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Poster
Conference / event / venue
EUROMOF 2017
Delft, The Netherlands
Monday, 30 October, 2017
A thermodynamic approach to accurately determine the flexibility and loss of crystallinity in metal-organic frameworks
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Talk
Conference / event / venue
EUROMAT 2017
Thessaloníki, Greece
Thursday, 21 September, 2017
Thermodynamic approach to accurately determine pressure profiles for metal-organic frameworks to assess their flexibility and loss of crystallinity
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Talk
Conference / event / venue
Thermodynamics 2017
Edinburgh, UK
Wednesday, 6 September, 2017
Derivation and application of a reliable procedure to computationally model the mechanical stability of rigid and flexible metal-organic frameworks
Fri, 25/05/2018
Faculty of Engineering and Architecture, Jozef Plateaustraat, Ghent
Physically motivated force fields for non-covalent interactions
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Talk
Conference / event / venue
Visit Dart Neuroscience
San Diego, CA, US
Tuesday, 28 March, 2017 to Thursday, 30 March, 2017
Polarizable force fields with atomic multipoles and conjugate potential variables
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Talk
Conference / event / venue
TSRC Workshop: “Many-Body Interactions: From Quantum Mechanics to Force Fields”
Telluride, CO, US
Tuesday, 12 July, 2016 to Saturday, 16 July, 2016
Error estimation in molecular dynamics simulations: nitrogen impurities in iron with empirical potentials
An efficient numerical solver for the Poisson equation in heterogeneous polarizable media
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