Imperial College London


Faculty of Natural SciencesDepartment of Chemistry




p.restuccia Website CV




109Molecular Sciences Research HubWhite City Campus





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.




Benini F, Bassoli N, Restuccia P, et al., 2023, Interaction of Water and Oxygen Molecules with Phosphorene: An Ab Initio Study., Molecules, Vol:28

Restuccia P, Losi G, Chehaimi O, et al., 2023, High-Throughput First-Principles Prediction of Interfacial Adhesion Energies in Metal-on-Metal Contacts., Acs Appl Mater Interfaces, Vol:15, Pages:19624-19633

de Tomas C, Alabidun S, Chater L, et al., 2023, Doping carbon electrodes with sulfur achieves reversible sodium ion storage, Jphys Energy, Vol:5

Peeters S, Losi G, Restuccia P, 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

Antonov P, Restuccia P, Righi MC, 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

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