Selection 3 themes 2023

  • Title: HPC materials design for clean energy applications.
    Tutor: Prof. Alice Ruini.
    Abstract: This PhD project deals with the development, combination and application of different computational techniques with the goal of optimizing materials and systems in view of sustainable and performing devices. The planned “Material design” activity relies on multiscale approaches and is empowered by High-Performance Computing and Machine Learning schemes, which will provide overarching electrostatics, optical and charge transport material properties, devices. The final goal is to to guide the choice of suitable materials, by predicting their performance in energy devices, such as new-generation batteries and biodegradable Thin-Film Transistors. This activity will benefit by well‐established collaborations with (inter)national theoretical and experimental groups, in particular within the PNRR initiatives where we are actively involved in (ECOSISTER project, Ecosistema Territoriale di Innovazione dell’Emilia-Romagna) and within the PRIN initiative.
    Main collaborations: Luca Bursi (UNIMORE, FIM). Giovanni Antonio Salvatore (UNIVE), Luisa Petti (UNIBZ), Luca Selmi (UNIMORE, DIEF).
    For further details, please contact