Mats Denayer

Mats was first welcomed at the ALGC group in 2016 when he performed an in-depth conceptual quantum chemical analysis on Chalcogen bonding during his Bachelor’s thesis under the supervision of Freija Devleeschouwer. Later, his master’s thesis aimed at designing stable and redox active radicals through the chemical compound Space via a stochastic search. After completing his Chemistry education at the VUB in 2019, Mats joined the ALGC group as a predoctoral fellow supervised by Frank De Proft in October the same year. His work as a PhD is part of an ongoing SBO (Strategic Basic research) project at the Research Foundation Flanders, in which he is developing a computational and interpretive method for fast and accurate polymer solubility prediction by combining classical molecular dynamics simulations with non-covalent interaction (NCI) analysis.

Selected Publications

F. De Vleeschouwer, M. Denayer, B. Pinter, P. Geerlings, F. De Proft, Characterization of chalcogen bonding interactions via an in-depth conceptual quantum chemical analysis, J. Comput. Chem. 2018, 39, 557–572. doi:10.1002/jcc.25099