My research concerns the study of the molecular mechanisms that control adsorption processes in porous materials. My objective is to evaluate new strategies in the study of adsorption processes, the study and design of new porous materials such as metal-organic frameworks (MOFs) and to develop new methods in the prediction of their performance.

In our work, we combine computational techniques such as grand canonical Monte Carlo (GCMC) and molecular dynamics (MD) simulations to study adsorption and diffusion phenomena with experimental techniques that include gas adsorption, calorimetry, neutron and X-Ray diffraction and small-angle X-Ray scattering.

Home institution: 
Job title: 
Royal Society University Research Fellow
Member type: 
Academic member, Early Career Researcher