Jochen Eeckhoudt

Jochen conducted both his bachelor and master thesis at the ALGC group, where he decided to continue working starting in October 2021 as an FWO funded Predoctoral Fellow. His main interests include chemical descriptors and concepts, organic reactivity, molecular switches and wavefunction analysis tools. His current research is situated in the fields of conceptual density functional theory and molecular high pressure chemistry. By using modern techniques to simulate pressure in static ab initio calculations, the surprising landscape of high pressure chemistry can be explored. The evolution of CDFT reactivity descriptors is but one example of how pressure impacts chemistry and stresses the importance of understanding the effects of pressure on electronic properties.

Selected Publications

T. Bettens, J. Eeckhoudt, M. Hoffmann, M. Alonso, P. Geerlings, A. Dreuw, F. De Proft, Designing force probes based on reversible 6π-electrocyclizations in polyenes using quantum chemical calculations, J. Org. Chem. 2021, 86, 7477–7489. doi:10.1021/acs.joc.1c00482

J. Eeckhoudt, T. Bettens, P. Geerlings, R. Cammi, B. Chen, M. Alonso, F. De Proft, Conceptual density functional theory under pressure: Part I. XP-PCM method applied to atoms, Chem. Sci. 2022, 13, 9329–9350. doi:10.1039/D2SC00641C