J. Wieme

A full computational characterization of the impact of defects on the mechanical stability and gas separation ability of MOFs

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Talk

Conference / event / venue 

docMOF Symposium
Raitenhaslach, Germany
Monday, 30 April, 2018 to Wednesday, 2 May, 2018

Towards modeling long-range disorder in MOFs: Development of a computational toolbox to extend the length scale in molecular simulations

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Invited talk

Conference / event / venue 

CECAM workshop: Multi-scale modelling of flexible and disordered porous materials
Paris, France
Monday, 11 June, 2018 to Wednesday, 13 June, 2018

Towards a molecular level understanding of chemical and physical phenomena in metal-organic frameworks

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Talk

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Congrès français des MOFs
Paris, France
Wednesday, 16 May, 2018 to Thursday, 17 May, 2018

Modelling phase transitions in temperature-responsive flexible metal-organic frameworks: the delicate balance between dispersion and entropy

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Talk

Conference / event / venue 

From Electrons to Phase Transitions
Vienna, Austria
Wednesday, 4 April, 2018 to Friday, 6 April, 2018

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