The research activities of the ALGC group are built around a central theme of theoretical and quantum chemistry with a particular focus on the combination of conceptual and computational state-of-the-art approaches in understanding, prediction and design of molecular and material properties and reactivity.
In line with the two major research lines, the ALGC group is composed out of two subgroups: the Chemical Theory Group, directed by Frank De Proft and the Materials Modeling Group, directed by Frederik Tielens. Activities in the De Proft group involve Conceptual Density Functional Theory, molecular conductivity, single-molecule switches, aromaticity, main-group catalysis, inverse molecular design, and chemical reactivity in solution. The main topic of the Tielens group is materials modeling oriented towards characterizing inorganic, organic and biological solid materials at the atomic level, especially at the interphases, requiring high level multiscale approaches.
The interdisciplinary research of the ALGC group is regularly conducted in cooperation with other leading experts in the field, which is clearly reflected in the extensive list of established scientific collaborations with both domestic and foreign research groups.
The ALGC research group is one of the Strategic Research Programs of the Vrije Universiteit Brussel since 2012.
Funding & Projects
