I joined the Department of Chemistry at Imperial College London in 2018 with an independent fellowship funded by EPSRC. I moved to Imperial from the School of Physics at Trinity College Dublin (IE), where I undertook investigations of different electron transport problems at interfaces and in molecular junctions, and developed new models for environmental stability and chemical reactivity of 2D materials. Previously, I worked at ETHZ (CH), where I pioneered novel molecular dynamics techniques to model chemical transformation and mass diffusion in solids and liquids, and matured an interest for the energy problem, studying Hydrogen storage and energy conversion in SOFCs. Following my master in Condensed Matter Physics at University of Messina (IT), I was awarded a PhD from University of Modena and the excellence centre INFM-CNR-S3 (IT); my doctoral research activity focused on the theoretical modelling of self-assembly and semiconductor surfaces’ functionalization with organic molecules.