My research mainly focuses on first-principles (ab initio) studies of materials under warm/hot dense conditions (T ≳ 100,000 K). Although some experiments can explore material properties at such high temperatures, the obtained data do not allow for generalizing an equation of state or transport properties across the entire fluid phase. Therefore, using ab initio predictive models — supported by experimental data — is essential to describe these materials in extreme states.

In this framework, I develop the open-source quantum molecular dynamics code ABINIT, focusing particularly on its high temperature features, including the “extended DFT” model. This model enables quantum molecular dynamics calculations under temperature and pressure conditions similar to those in stellar interiors and inertial confinement fusion targets. These ab initio calculations are highly computationally demanding, giving our supercomputers a crucial role.

My list of publications is available on Google Scholar.