Computational modeling of reticular materials: The past, the present, and the future
Reticular materials rely on a unique building concept where inorganic and organic building
units are stitched together giving access to an almost limitless number of structured ordered …
units are stitched together giving access to an almost limitless number of structured ordered …
Local and global dynamics in organic soft porous crystals
E Hernández-Santiago, J Espinosa-Rocha… - Matter, 2024 - cell.com
Organic soft porous crystals (OSPCs) have garnered significant attention for their potential
applications in guest capture, gas storage, separation, and modulated optoelectronics. The …
applications in guest capture, gas storage, separation, and modulated optoelectronics. The …
The thermoelastic properties of monolayer covalent organic frameworks studied by machine-learning molecular dynamics
Two-dimensional (2D) covalent organic frameworks (COFs) are emerging as promising 2D
polymeric materials with broad applications owing to their unique properties, among which …
polymeric materials with broad applications owing to their unique properties, among which …
Guest-induced structural transformation of single-crystal 3D covalent organic framework at room and high temperatures
A Yao, H Xu, K Shao, C Sun, C Qin, X Wang… - Nature …, 2025 - nature.com
Soft porous crystals, recognized as the third generation of smart porous materials, can
undergo structural deformations in response to external stimuli, such as temperature …
undergo structural deformations in response to external stimuli, such as temperature …
Pushing the Limits of Heat Conduction in Covalent Organic Frameworks Through High‐Throughput Screening of Their Thermal Conductivity
Tailor‐made materials featuring large tunability in their thermal transport properties are
highly sought‐after for diverse applications. However, achievinguser‐defined'thermal …
highly sought‐after for diverse applications. However, achievinguser‐defined'thermal …