Projects
Non-linear optical and time-dependent fluorescence properties of molecular probes reveal the phases of surrounding lipid membranes: a multiscale modeling approach Hasselt University
Determination and modeling of the dispersion of the molecular first hyperpolarisability: octupolar etallodendrimers and carbon nanotubes. University of Antwerp
Molecular modeling of paramagnetic radiation-induced defects in solids Ghent University
The project confronts experimental Electron Paramagnetic Resonance (EPR) and Electron Nuclear Double Resonance (ENDOR) results with their computational counterparts, obtained by Density Functional Theory (DFT).
Ab-initio modeling of free-radical irradiated defects in molecular crystals: determination of EPR-related quantities and characterization of the radiation chemistry. Ghent University
Data Driven Molecular Modelling for Reactor Design Ghent University
Chemical reactor design and optimization based on insights and data on a molecular level can become reality in the coming decade. Multiscale simulations including all elementary reaction steps in a full microkinetic model, with information on catalyst structure and adsorption on different sites are within reach. This extensive approach requires software tools to aid the development of accurate and complete microkinetic models for ...
NMR and molecular modelling investigations of hydroxyl apatite – DNA immunestimulator nanoplatforms for improved vaccine delivery Ghent University
There is an urgent need for safe vaccines against many dangerous diseases; however, avoiding side effects is a major prerequisite in ensuring patient compliance. To address this, new generation vaccines with safe but weakly immunogenic antigens are formulated together with carriers and/or adjuvants to induce the desired immunological response. The use of nanoparticles as carriers for vaccines, also known as nanovaccinology, is a promising ...