The main goal of the proposed sabbatical leave is to obtain hands-on experience in the computational modeling
of colloidal semiconductor nanocrystals or quantum dots. To this end, I will study InP/ZnSe core/shell QDs. This
material system is of particular relevance these day as light emitter in lighting and display applications, and has
been central to my research of the last 10 years. As part of the sabbatical leave, I will focus on (1) the formation of
structural models of InP/ZnSe core/shell QDs, (2) an evaluation of the electronic structure for different structural
models and (3) a comparison between computational predictions and experimental reality, in particular as
obtained in my lab by transient absorption and photoluminescence spectroscopy. Central to the way of working
will be the incorporation of the latest experimental insights within the structural models, including the composition
of the core/shell interface and the ZnSe outer surface. To achieve this, I will work in close collaboration with prof.
Ivan Infante, and I aim at presenting results at the MATSUS24 meeting in Barcelona and the MRS Spring meeting
in Seattle.