Yassir El Moutaoukal
Research
My work focuses in the development of ab initio methods for modeling molecular system strongly coupled with quantized electromagnetic fields. In this regime, electron-photon correlation effects come in play and hybrid states called molecular polaritons are formed. These stases posses features from both the light and matter and permit the non-invasive engineering of the molecular properties by fine tuning the coupled fields. The development of the methods is performed in the quantum chemistry eT program.
Publications
Toward Polaritonic Molecular Orbitals for Large Molecular Systems
In this work we introduce two second-order algorithms for the strong coupling QED Hartree-Fock theory enabling the modeling of large molecular systems coupled to quantized electromagnetic fields inside optical devices.
Strong Coupling Møller–Plesset Perturbation Theory
In this work we develop the strong coupling QED Møller–Plesset perturbation theory using consistent molecular orbitals in order to achieve an accurate description of cavity-induced electron−photon correlation effects.