Improving the efficiency of perovskite solar cells is the main goal of our research, with a particular attention to surface stabilization, crystallization and optimization of the organic Pb and Sn based perovskites solar cells.
Development of on-the-fly MD methods
We aim to uncover new insights about the structures, properties and interactions of biological and biomimetic systems by means of QM/MM techniques in conjunction with enhanced sampling methods and machine learning.