S.M.J. Rogge
Investigating the impact of localized defects on the mechanical properties of ZIF-8
Investigating the impact of long-range spatial disorder on the stability of flexible and defective metal-organic frameworks with coarse-grained models
Does water behave as a solvent in confinement? The impact of the framework symmetry and topology of ZIFs
Reliably modeling the mechanical stability of MOFs at increasing length scales to unleash their full industrial potential
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Talk
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MOF2018
Auckland, New Zealand
Sunday, 9 December, 2018 to Thursday, 13 December, 2018
Tuning the balance between dispersion and entropy to design temperature-responsive flexible metal-organic frameworks
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Talk
Conference / event / venue
MOF2018
Auckland, New Zealand
Sunday, 9 December, 2018 to Thursday, 13 December, 2018
Nuclear quantum effects in metal-organic frameworks
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Poster
Conference / event / venue
Ab initio Modeling in Solid State Chemistry
Torino, Italy
Wednesday, 5 September, 2018
Nuclear quantum effects in metal-organic frameworks
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Poster
Conference / event / venue
Path Integral Quantum Mechanics: From the Basics to the Latest Developments
Lausanne, Switzerland
Wednesday, 27 June, 2018
A full computational characterization of the impact of defects on the mechanical stability and gas separation ability of MOFs
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Talk
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docMOF Symposium
Raitenhaslach, Germany
Monday, 30 April, 2018 to Wednesday, 2 May, 2018
Nuclear quantum effects in metal-organic frameworks
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Poster
Conference / event / venue
Solvay New Horizons Lectures in Chemistry
Zwijnaarde, Belgium
Friday, 1 June, 2018