Randall Q. Snurr

TL;DR: The synthesis of a MOF in which zinc centers are bridged with long, highly conjugated organic linkers, but in which the overall symmetry of the networks created prevents formation of interpenetrating networks is described.

TL;DR: Computational modelling is used to design and predictively characterize a metal-organic framework (NU-100) with a particularly high surface area that had high storage capacities for hydrogen and carbon dioxide and was in excellent agreement with predictions from modelling.

TL;DR: It is demonstrated computationally that by shifting from phenyl groups to "space efficient" acetylene moieties as linker expansion units, the hypothetical maximum surface area for a MOF material is substantially greater than previously envisioned.

TL;DR: A scalable, reproducible method of synthesizing UiO-66- and Ui O-67-type MOFs, entailing the addition of HCl to the reaction mixture, has been investigated.

TL;DR: RASPA as discussed by the authors is a software package for simulating adsorption and diffusion of molecules in flexible nanoporous materials, which implements the latest state-of-the-art algorithms for molecular dynamics and Monte Carlo (MC) in various ensembles including symplectic/measure-preserving integrators, Ewald summation, configurational-bias MC, continuous fractional component MC, reactive MC and Baker's minimisation.