S.M.J. Rogge
Computationally designing guest-loaded covalent organic frameworks for next-generation fuel cells
Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol
ISBN/ISSN:
Poster
Conference / event / venue
Faraday Discussions
Online
Tuesday, 13 October, 2020 to Friday, 16 October, 2020
Ruling the free world - and other things computational chemistry can help you with
ISBN/ISSN:
Invited talk
Conference / event / venue
JungChemikerForum Dortmund, Gesellschaft Deutscher Chemiker
online
Monday, 7 December, 2020
The micromechanical model to computationally investigate cooperative and correlated phenomena in metal-organic frameworks
ISBN/ISSN:
Talk
Conference / event / venue
Faraday Discussion on Cooperative Phenomena in Framework Materials
online
Thursday, 15 October, 2020
The impact of localized defects on the long-range cooperative mechanical properties of ZIF-8
High-throughput screening of promising covalent organic frameworks to design next-generation fuel cells
One crystal, two phases: Designing phase coexistence in metal-organic frameworks
Layers under stress: Derivation of stress algorithms to control the interlayer shearing in 2D covalent organic framework
From the atom to the material: The micromechanical model to convert atomic information to macroscopic phenomena
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