Main Research Activities

This PhD project would be part of the ARTISTIC project, financed by the European Research Council (ERC), whose aim is to develop and demonstrate a novel theoretical framework devoted to rationalize the formulation of composite electrodes for high-energy density secondary batteries. This PhD will contribute to the development of the Coarse Grained Molecular Dynamics (CGMD) method for the simulation of electrodes fabrication. In detail this method will be used to study the effect of slurry preparation and evaporation on the electrodes mesostructures. Moreover, the study of the physics governing the calendaring process will be studied as well. This physics is strongly dependent on the mechanical properties of the electrodes components (active material, conductive additive and binder). To study this process, on the electrode structures previously generated using the CGMD, the Discrete Element Method (DEM) will be used.  A particular attention will be given to the mechanism of deformation and destruction of aggregates and their effect on the electrochemical performance of the electrode. To achieve this aim, the open source software LAMMPS will be used. The obtained results will be compared to experimental ones, to validate the computation models. Finally, the optimization of the force field necessary to perform the CGMD simulation will be performed coupling the developed models to machine learning algorithms.  

Academic Training

• Master thesis at the Ecole Normale Supérieure of Paris, France (March 2018-July 2018); title of the thesis: Development of electrochemical methods to determine plugs volume and velocity in droplet-based microfluidics: Towards analytical strategies to detect the content of merged plug.
• Collegio Superiore of Bologna (2016-2018).
• Master degree in Photochemistry and Molecular Materials at the University of Bologna (2016-2018); final score: 110/110 cum laude.

Bachelor degree in Chemistry at the University of Catania (2013-2016); title of thesis: stepwise synthesis, on oxides surfaces, of organic systems for molecular electronics; final score: 110/110 cum laude.

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Professional skills

Running Projects

ARTISTIC, 2018-2023, ERC

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