Towards realistic models for metal-organic frameworks: How defects impact the spatiotemporal response Read more about Towards realistic models for metal-organic frameworks: How defects impact the spatiotemporal response
Towards realistic computational models of nanoporous materials using dimensionality reduction methods Read more about Towards realistic computational models of nanoporous materials using dimensionality reduction methods
One crystal, two phases: Designing phase coexistence in metal-organic frameworks Read more about 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 Read more about 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 Read more about 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 Read more about 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 Read more about 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 Read more about 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 Read more about 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 Read more about Computationally designing guest-loaded covalent organic frameworks for next-generation fuel cells