Zirconium sites for epoxide rearrangement: from zeolites to MOFs Read more about Zirconium sites for epoxide rearrangement: from zeolites to MOFs
Transport modeling for novel organic solvent nanofiltration membranes Read more about Transport modeling for novel organic solvent nanofiltration membranes
From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials Read more about From data science to physical insight: systematically identifying the collective variables describing phase transformations in flexible materials
Including nuclear quantum effects via path integral techniques to accurately model breathing in metal-organic frameworks Read more about Including nuclear quantum effects via path integral techniques to accurately model breathing in metal-organic frameworks
Obtaining the thermal conductivity of metal-organic frameworks via force-field molecular dynamics simulations Read more about Obtaining the thermal conductivity of metal-organic frameworks via force-field molecular dynamics simulations
From a dense to a sponge-like structure at high pressures: unravelling the counter-intuitive behaviour of zinc cyanide Read more about From a dense to a sponge-like structure at high pressures: unravelling the counter-intuitive behaviour of zinc cyanide
Diffusion of mixtures of protic molecules and hydrocarbons through small pore zeolites Read more about Diffusion of mixtures of protic molecules and hydrocarbons through small pore zeolites
Predicting the isotherms of adsorption through a combination of molecular simulations and thermodynamic models Read more about Predicting the isotherms of adsorption through a combination of molecular simulations and thermodynamic models
Semi-analytical thermodynamic model for multicomponent adsorption in nanoporous materials Read more about Semi-analytical thermodynamic model for multicomponent adsorption in nanoporous materials
Mechanical (in)stability at increased temperature: why does a material break down? Read more about Mechanical (in)stability at increased temperature: why does a material break down?