V. Van Speybroeck
Computation and partitioning of nanoconfined water spectra
Applying advanced quantum mechanical techniques to describe d-orbital excitations in highly correlated systems
Accurate description of phase transitions in flexible materials using transferable machine learning potentials
Quantifying the likelihood of structural models through a dynamically enhanced powder X-ray diffraction protocol
ISBN/ISSN:
Poster
Conference / event / venue
Faraday Discussions
Online
Tuesday, 13 October, 2020 to Friday, 16 October, 2020
Computational investigation into the nuclear magnetic resonance properties of zeolite ferrierite
ISBN/ISSN:
Poster
Conference / event / venue
Molsim 2021
Amsterdam , NL (online)
Atomistic insight in the flexibility and heat transport properties of the stimuli-responsive metal-organic framework MIL-53(Al) for water-adsorption applications using molecular simulations
ISBN/ISSN:
Invited talk
Conference / event / venue
Cooperative phenomena in framework materials: Faraday Discussion
UK (online)
Tuesday, 13 October, 2020 to Friday, 16 October, 2020
Orthogonal Electronic Structure Engineering in Nanoporous Frameworks
Tue, 22/09/2020
Ghent University AULA, Voldersstraat, Ghent
Supervisors
V. Van Speybroeck, K. LejaeghereTheoretical insights into mechanism and reactivity of zeolite-catalyzed alkylphenols dealkylation
ISBN/ISSN:
Talk
Conference / event / venue
NCCC XXI
Noordwijkerhout,The Netherlands
Monday, 2 March, 2020 to Wednesday, 4 March, 2020