Analysis of the effects of forcefields on adsorption simulation in MOFs

Improving predictions of solvation free energies from non-polarisable models by applying polarisation corrections

Computational modelling of self-assembling triblock copolymer surfactants for use in the synthesis mesoporous silica

A modelling study in harnessing metal-organic frameworks for challenging gas separations

Integrating polarisation effects into non-polarisable models to better model the self-assembly of mesoporous silica nanomaterials