Adriana Pecoraro is currently a non-tenured assistant professor at the Department of Physics “E. Pancini” of the University of Naples Federico II, where she received the Master degree and the PhD in physics. During her PhD, she worked on quantum optics, and now her research is focused on the theoretical characterisation of materials for applications in both conversion and storage devices. She is currently employing DFT-based methods to characterise interfaces and charge transport phenomena at the perovskite/charge transport layers interface in perovskite solar cells.

Arianna Massaro works as non-tenured assistant professor at Department of Chemical Science. After the BSc Thesis on the investigation of VGY pigments degradation framed within cultural heritage projects, she approached the study of energy materials and their applications in conversion and storage devices (DSSCs and Na-ion batteries during MSc and PhD Thesis, respectively). She is currently pursuing the field of post-lithium batteries, by combining DFT methods (VASP) and polarizable molecular dynamics (LAMMPS) to study transport properties at electrode/electrolyte interface.

Francesca Fasulo works as a Post Doc at the Department of Physics “E. Pancini” of the University of Naples Federico II. She is focused on an ab-initio based multiscale modelling investigation of heterogeneous interfaces for energy conversion and storage via various computational methods, from DFT with periodic boundary conditions (VASP, Quantum ESPRESSO, FHI-AIMS) to the study of excited state properties in molecular systems (Gaussian and MOLCAS), to AIMD and metadynamics (CP2K, DFTB+), to the use of the DFET (ABINIT).

Gennaro V. Sannino is currently a PhD student in Chemical Sciences at the University of Naples “Federico II”, where he received his Master’s degree in Chemical Sciences in 2020. His research is focused on perovskite solar cells. In particular, Gennaro explores with ab initio density functional theory calculations charge processes at the interface with the perovskite and new kind of materials for PSCs from a microscopic perspective. He is also carrying out his PhD work in the ENEA research center in Portici (NA), combining his theoretical studies with experimental evidences.

Aniello Langella earned his master’s degree in industrial chemistry from the University of Naples “Federico II” in 2022. He is now pursuing a Ph.D. in chemical sciences at the same institution. His research is primarily focused on the development of functional materials for use in energy conversion and storage systems. In addition to this, the use of machine learning methods will be part of his PhD study.