Projects
Exploring excited state structural dynamics of fluorescent proteins by using X-ray free electron laser (XFEL) towards advancement of cutting‐edge microscopy KU Leuven
Merging Excited State Decay Rate Theories with Semi-Classical Nonadiabatic Excited State Dynamics (PhotoSynergy) KU Leuven
Electron, spin, and atom dynamics in excited transition metal oxide clusters KU Leuven
This research project deals with the study of electron, spin, and atom dynamics of excited transition metal oxide (TMO) clusters. The clusters will be driven out of equilibrium by short laser pulses and the position of the atoms, the electronic and magnetic states, as well as their dynamic interplay will be studied at any point in time thereafter. Hereto, different static and dynamic experimental techniques will be used such as magnetic ...
Second-order approximate coupled-cluster methods for electronic resonances KU Leuven
Electronic resonances are metastable states embedded in the ionization or detachment continuum. They play a central role in many processes in which electrons become unbound, but are beyond the reach of standard quantum chemical methods. An elegant treatment of electronic resonances is possible in terms of complex-valued energies. So far, such approaches have been combined only with high-level electronic structure methods and applied to small ...
Interactions in composite graphene-based electronic systems. University of Antwerp
Autoionizing Rydberg states using non-Hermitian quantum chemistry KU Leuven
Realization and manipulation of novel topological states in magnetic topological insulators. University of Antwerp
Chemical reactivity and excitation at low temperature with quantum statistical approaches KU Leuven
Complex molecular species are present in various astronomical environments, from the interstellar medium to protoplanetary disks and comets, and in-depth models have been developed to understand chemistry in these environments. A major bottleneck arises from the lack of data for reactive and inelastic collisions involving the various molecules present in space. In order to improve our understanding of astronomical environments as well as to ...