S.M.J. Rogge

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

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

Pages