My research interests are in the field of the electronic structure, with a specific focus in Density Functional Theory (DFT). Within my current project, I am carrying on an investigation of possible battery materials (both electrodes and electrolytes) for novel lithium/sodium based applications. This study involves the calculation of the electronic and structural properties for a variety of materials, as well as the characterisation of ionic diffusivity. The latter is calculated using the state-of-the-art implementation of the nudged elastic band (NEB) method. The project involves close collaboration with the experimental section of the research group.
I have a solid background in condensed matter physics, developed during my bachelor and master at the University of Trieste, and further expanded during my PhD at King's College London with concept closely related to atomistic materials science. My former projects include the investigation of the atomistic mechanism of graphene growth on metallic surfaces (work which was initiated during my MSc) and the characterisation of the mechanical properties of Ni-based alloys (PhD project). Within the first project, density functional theory (DFT) calculations, augmented with semi-empirical van der Waals corrections, are employed to obtain accurate adsorption properties. This work includes the calculation of a number of transition barriers using the nudged elastic band (NEB) method to characterise the growth mechanism of a graphene layer and to understand the role of hydrogen on experimentally relevant adsorption geometries. Within the latter project, DFT is coupled to a classical interatomic potential to perform QM/MM simulations of dislocation glide in Ni-based alloys.
- Oct. 2007 – Sept. 2010 BSc Physics, University of Trieste
- Oct. 2010 – Sept. 2012 MSc Physics, University of Trieste
- Oct. 2012 – Sept. 2016 PhD Physics, King's College London.
- Reviewer for:
- Electrochimica Acta, Elsevier
- Computational Condensed Matter
- Contributor to the QUIP package (https://libatoms.github.io/)
Also find me at:
29 Jan.–01 Feb. 2019 Operando Surface Catalysis meeting (OPSCAT): link contributive talk "Adatom-promoted growth of grapgene on a Ni(111) substrate" University of Oslo
13th–15th Jan. 2019 attending the SMN Winter Seminar, Bardøla Høyfjellshotell, Geilo, Norway
- 04–05 June 2018: Kick-off meeting India – Norway partnership for Research and Education in Materials for energy and environment (INNOREM). Contributive talk "Computational modelling of STM images: graphene on Ni(111)", University of Oslo
- 16 March 2018 - the final part of the work regarding graphene growth on nickel is published in Science. Links to press release English - Italian
- 18 Sept. 2017: attending the 24th WIEN2k workshop (link) Vienna, Austria