Themes

- Green's function theory

- Quantum Monte Carlo

- Quantum many-body theory

- Open quantum systems theory

- Computational chemistry and physics

- Quantum Chaos

- Quantum Chemistry

- Electronic structure

- Statistical physics

Recherche

My current research is on semi-classical (and later, full-quantum) Boltzmann transport of electrons, coupled to phonons in various materials, including graphene, using the perturbo code, under different types of external fields.

The rest of my thesis will focus on electron-phonon coupling and exciton-phonon coupling, with a focus on the self-energy formulation, and wider Green's functions methods, as well computational simulation thereof using diverse techniques (using the YAMBO code).

Parcours

I did my undergrad and masters in pure chemistry at Strathclyde Chemistry, where I focused on theoretical and computational chemistry.

During my year in industry, I worked at Sosei Heptares (now Nxera Pharma) and developed an active learning algorithm for Structure-Based Drug Discovery Virtual Screening (SBDD-VS). I also developed QSAR methods for analytical measurements, and worked on the photocatalytic properties of certain catalysts for photocycloaddition reactions.

During my masters, I studied the catalytic selectivity of a class of functionalized Nickel-vinyl complexes in anomalous hydroboration reactions, using Kohn-Shan Density Functional Theory. 

Lastly, I briefly worked at Atomic Tessellator, on Quantum Monte Carlo methods for reaction dynamics on potential energy surfaces.