S.M.J. Rogge
Towards realistic computational models of nanoporous materials using dimensionality reduction methods
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 frameworks
From the atom to the material: The micromechanical model to convert atomic information to macroscopic phenomena
Forming porous ice in nanoporous materials: Nucleation of clathrates to store and transport natural gas
Efficiently overcoming free energy barriers through the identification of collective variables via machine learning approaches
Developing cooperative strain fields to study the long-range impact of localized defects in ZIF-8
Designing the shock absorbers of tomorrow: Understanding the intrusion and structure of confined water in nanoporous ZIFs
Computationally designing guest-loaded covalent organic frameworks for next-generation fuel cells
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