L. Vanduyfhuys
Implementation of classical density functional theory to unravel the fluid structure of adsorbed species in nanoporous materials
Development of first principle based force fields to describe adsorption and diffusion in MOFs including lattice dynamics
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Talk
Conference / event / venue
Metal Organic Frameworks (MOF 2010)
Marseille, France
Sunday, 5 September, 2010 to Wednesday, 8 September, 2010
Non-covalent force field expressed in terms of spherical density functions
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Talk
Conference / event / venue
255th National Meeting and Exposition of the American-Chemical-Society (ACS) - Nexus of Food, Energy, and Water a
New Orleans, LA, USA
Sunday, 18 March, 2018 to Thursday, 22 March, 2018
Unraveling the Thermodynamic Conditions for Negative Gas Adsorption in Soft Porous Crystals
11
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Invited talk
Conference / event / venue
MOFSIM2019
Ghent, Belgium
Wednesday, 10 April, 2019 to Friday, 12 April, 2019
Benchmarking systematic methods to identify appropriate collective variables in flexible metal-organic frameworks
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
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Talk
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Hybrid Materials Group
Cambridge, United Kingdom
Wednesday, 21 August, 2019
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
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The Grey Group
Cambridge, United Kingdom
Tuesday, 20 August, 2019
Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations
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Talk
Conference / event / venue
The Goodwin Group
Oxford, United Kingdom
Monday, 22 July, 2019
Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential
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MMC
Oxford, United Kingdom
Tuesday, 4 June, 2019
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