Francesca Fasulo

Francesca Fasulo

Francesca Fasulo graduated cum laude in Chemistry in 2019 from the Department of Chemical Sciences at the University of Naples Federico II, where she subsequently obtained her Ph.D. in Chemical Sciences with honors in 2023. Her doctoral thesis, titled “Multiscale Modelling of Heterogeneous Interfaces for Energy Conversion and Storage,” received the “Giuseppe Del Re” award for best thesis from the Division of Chemical Theory and Computation of the Italian Chemical Society.
During her Ph.D., Francesca was awarded two Short-Term Scientific Missions funded by the EU COST Action CompNanoEnergy, conducting research visits of six months each in 2020 with Prof. Michele Parrinello at the University of Italian Switzerland in Lugano, and in 2022 with Prof. Laura Gagliardi at the University of Chicago. Following her Ph.D., she pursued a one-year postdoctoral fellowship funded by the Human Frontier Science Program (HFSP) at the Department of Physics of the University of Naples Federico II. In 2024, she was appointed as an Assistant Professor (RTD-A) in Physical Chemistry at the same department.
As an active member of the MUSICHEM research group, Francesca’s research focuses on the development and application of state-of-the-art computational methods for studying complex chemical systems, with a special interest in heterogeneous functional materials for energy storage, photovoltaics, and electrocatalysis. Central to her research is advancing phenomenological models to create robust multiscale frameworks capable of closely aligning computational results with experimental observations. This involves incorporating temperature, applied biases, and strong electronic correlation effects through integrated Molecular Dynamics (MD), Density Functional Theory (DFT) and post-Hartree-Fock (post-HF) methodologies.