My group’s expertise lies in electronic structure calculations using methods such as density functional theory. This approach uses quantum mechanics to calculate material properties. Our approaches are based on first physics principles and therefore, require no experimental parameters. As a result, we can predict the properties of new materials and explore new ideas to deduce the most promising leads. Our calculations are also highly valued by our experimental collaborators, as we can calculate the properties of the systems they are studying without theoretical bias. My group members are developers of the ABINIT open-source code that implements these approaches. Recently, our work has led us to use machine learning methods to increase the range of systems we can simulate.  Our main areas of interest are nanomaterials, superconductors and battery materials.