Stijn De Vos

Stijn has been a novel PhD student at the ALGC research group in material modeling since 2024. He received his master's degree in (bio)organic chemistry from the University of Ghent, where his thesis focused on the transglycosylase bacterial enzyme. Through computational methods and ligand-based structure optimization, he identified potential novel antibiotics using molecular docking, molecular dynamics simulations, and DFT. Now, in the materials modeling group, he focuses on understanding NMC batteries and the effects of different industrial electrolytes on battery performance and corrosion mechanisms. He employs state-of-the-art computational techniques such as self-trained machine learning-based molecular dynamics, DFT, and metadynamics.