Projects
Development and validation of an on-the-fly hybrid QM/MM approach to quantitatively address the influence of solvent molecules on the predicted IR and VCD spectra of chiral solutes in polar and apolar solvents. University of Antwerp
Dynamics and decay of solitons and solitonic vortices in superfluid Fermi gases. University of Antwerp
An experimental and theoretical study into the competition between halogen bonding and hydrogen bonding. University of Antwerp
Effective theories of the Cosmology of Microscopic Physics. KU Leuven
My research proposal aims to develop new, more efficient theories of large-scale properties of the universe by exploiting situations where there is a large hierarchy of physical scales. Just like in atomic physics, where we need only know a few basic properties (i.e. mass, charge) of a nucleus -- but no specific knowledge about the underlying quarks and gluons -- to describe the physics of the hydrogen atom, I hope to consider the cosmology ...
An experimental and theoretical study into the competition between halogen bonding and hydrogen bonding. University of Antwerp
Chemisorption reaction mechanisms for ruthenium atomic layer deposition (ALD): an atomistic insight. KU Leuven
In this thesis, we have explored and applied different computational techniques, i.e. density functional theory (DFT), multiconfigurational perturbation, coupled cluster, and density matrix renormalization group (DMRG) methods in order to solve different chemical problems of transition metal (TM) complexes.
In gas phase, we have established a general procedure using high-quality ab initio methods to efficiently study binding energies of ...