Prof. Dr. ir. A. Ghysels

Adsorption energies of isobutene cracking intermediates in zeolites: how accurately can they be determined by first-principle methods

F. Vandamme

Master of Science in Chemical Engineering

2018

Supervisors

Prof. Dr. ir. Veronique Van Speybroeck, Prof. Dr. ir. A. Ghysels

Explicit sampling of the unit cell shape for a more accurate estimation of the free energy profile for flexible crystals

S. Caroes

Master of Science in Physics and Astronomy

2016

Supervisors

Prof. Dr. ir. A. Ghysels, Prof. Dr. ir. Veronique Van Speybroeck