S.M.J. Rogge

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

It's all about time: Understanding the impact of coarse graining on accelerated diffusion in nanoporous materials

Why water stops being a regular liquid: Understanding the structure of confined water in nanoporous ZIFs

Construction of a Ready-To-Use Database to Enable Accurate High-Throughput Screenings of Covalent Organic Frameworks

J. De Vos, S. Borgmans, S.M.J. Rogge, R. Demuynck, P. Van der Voort, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

MolSim 2020

Amsterdam, The Netherlands

Monday, 6 January, 2020 to Friday, 17 January, 2020

Stabilizing the perovskite phase of cesium lead iodide thin films via interfacial strains

T. Braeckevelt, J.A. Steele, K. Lejaeghere, S.M.J. Rogge, M. Roeffaers, J. Hofkens, V. Van Speybroeck

ISBN/ISSN:

Poster

Conference / event / venue

MolSim-2020: Understanding Molecular Simulation

Amsterdam, The Netherlands

Monday, 6 January, 2020 to Friday, 17 January, 2020

Pages