Dr. Freija De Vleeschouwer is a postdoctoral researcher and teaching faculty member in the Department of Chemistry at Vrije Universiteit Brussel (VUB) in Brussels, Belgium. With an ORCID identifier 0000-0003-0563-1509, she has established herself as a prominent researcher in computational chemistry with 927 citations and a 15 h-index. Her academic journey includes multiple FWO postdoctoral fellowships and a Research Professor appointment in Basic, Nature & Applied Sciences (2020). Dr. De Vleeschouwer's research focuses on the application of computational quantum chemical methods to solve complex problems in molecular design and materials science. Her work spans several key areas including density functional theory, molecular reactivity, self-healing polymers, and nonlinear optical materials. She employs a multidisciplinary approach combining computational predictions, molecular dynamics simulations, and experimental validation to advance understanding in these fields. Her recent research output demonstrates a strong trend toward computational-experimental integration, particularly in the development of self-healing polymer networks through Diels-Alder chemistry. She has also made significant contributions to understanding hexaphyrin compounds and their optical properties using explainable machine learning approaches. This work bridges traditional computational chemistry with modern data science techniques. Scientific Awards: FWO postdoctoral fellowship (2010) for molecular design using conceptual DFT FWO postdoctoral fellowship (2013) for inverse molecular design in radical chemistry Poster prize at the 15th International Congress of Quantum Chemistry (2015) Research Professor in Basic, Nature & Applied Sciences (0.1 ZAP) (2020) Dr. De Vleeschouwer actively supervises graduate students and has served on PhD committees. Her research is supported by multiple competitive grants including FWOTM and SRP projects. She organizes international conferences, including the 19th International Conference on Density Functional Theory and its Applications (2022), and participates in international collaborations such as research stays at Palacky University Olomouc. She leads several active research projects through 2026-2027, including FWOTM1148 on accelerating Diels-Alder kinetics in self-healing polymers and SRP73 on molecular and material property prediction using combined quantum chemical approaches.
