I am a Postdoctoral Research Associate at the Chemistry Department. I am a member of the Computational Materials Science Group of Prof. Nicholas Harrison. My main activity is the study of corrosion by means of ab initio calculation.
In March 2017, I completed cum laude a PhD in "Multiscale modelling of tribological systems: adsorbed monolayer and carbon-based materials" at the University of Modena. Then I worked for two years as PostDoc in the Computational Tribology Group in the same University. I started my current work at Imperial College in February 2019.
My research career focuses on studying chemical and physical reactions occurring at surfaces and interfaces, specifically in the study of corrosive and tribological processes. I have performed these analyses with state-of-the-arts computational materials science approaches, namely static and dynamics first-principles simulations based on density functional theory, classical Molecular Dynamics and Quantum Mechanics/Molecular Mechanics multi-scale approach. I have also developed automated workflows for high-throughput calculations to study relevant figures of merit in the adhesion and sliding of homogenous interfaces and molecular dissociation of molecules over substrates.
et al., 2022, Unraveling the mechanism to form MoS2 lubricant layers from MoDTC by ab initio simulations, Applied Surface Science, Vol:606, ISSN:0169-4332
et al., 2022, Attractive curves: the role of deformations in adhesion and friction on graphene, Nanoscale Advances, Vol:4, ISSN:2516-0230, Pages:4175-4184
Restuccia P, Ahmad EA, Harrison NM, 2022, A transferable prediction model of molecular adsorption on metals based on adsorbate and substrate properties, Physical Chemistry Chemical Physics, Vol:24, ISSN:1463-9076, Pages:16545-16555
et al., 2022, Modeling phosphorene and MoS2 interacting with iron: lubricating effects compared to graphene, Journal of Nanostructure in Chemistry, ISSN:2008-9244
et al., 2022, Corrosion inhibition in acidic environments: key interfacial insights with photoelectron spectroscopy, Faraday Discussions, Vol:236, ISSN:1359-6640, Pages:374-388