I am a computational chemist working in the areas of molecular modeling, computer aided drug design and chemoinformatics. Research in my lab focuses on the development of new computational methods (algorithms and workflows) and on their application to the study of the factors that govern molecular energetic and structure. Understanding these factors could subsequently be used for the design of new compounds with improved activities. In my lab we apply a multi-disciplinary approach consisting of various levels of theory, different simulation techniques and different machine learning algorithms to correlate molecular properties with their activities. Some of our research projects are the structure, function and energetic of CFTR, the main protein implicated in Cystic Fibrosis, DNA intercelators, plants pathogens and material informatics, in particular in the field of solar cells.