Current Research


Molecular Modeling of Nanoporous Materials for Applications in Energy and the Environment

We focus on predicting the behaviour of fluids confined in nanoporous materials using molecular simulations. Applications include adsorptive separations, water purification, carbon capture, hydrogen and methane storage, and methane hydrates.

Access to Clean Water

We employ computational molecular engineering principles to design and identify materials for water purifcation applications.



Membrane Separations

We are developing molecular modelling methods to simulate membrane separations under realistic conditions.



In Silico Design of Porous Materials

By using molecular modelling tools we design porous structures and propose post-synthetic modificatons to improve their properties.