Ricerc@Sapienza

Our research revolves around computer simulations of materials and their properties from first principles: solving the fundamental physics equations to understand and predict the behaviour of matter without relying on any empirical parameter. 
        This approach is pivotal in developing materials for energy harvesting, such as advanced solar cells and thermoelectric devices, which are crucial in converting wasted heat into electric energy and exploring the realms of high-temperature superconductivity.
        Additionally, we delve into the ultrafast dynamics of nuclei and electrons in the femtosecond scale, fundamental to understanding and improving the light-electricity conversion operated by next-generation materials or ultrafast switches for quantum computing. 
        Our studies also tackle the complex thermodynamical characterization of phase diagrams and second-order phase transitions in challenging systems, like materials under extreme pressure found in the nuclei of planets. 
        We are also at the forefront of research in integrating artificial intelligence into material design, and we stand at the forefront of innovative strategies, aiming to revolutionize how materials are conceptualized and created.