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Researcher
Jelle Vekeman
Profile
Projects
Publications & Research Data
Activities
Awards & Distinctions
Patents
30
Results
2025
MLP-driven Monte Carlo exploration of Al/Si zeolite configurations
Kendrick Di Piro
Jelle Vekeman
Toon Verstraelen
C3
Conference
2025
Model-informed training data curation for reactive all-atom potentials
Loïc Dumortier
Toon Verstraelen
Jelle Vekeman
Theodorus De Bruin
Benoit Creton
Dissertation
2025
2024
Evaluation of green biobased plasticizers in poly(vinyl chloride) : sustainability, thermal behavior, mechanical properties, and durability
Anthony De Bruyne
Kenneth Cérdan
Galahad O'Rourke
Wouter Stuyck
Jarne Leinders
Mats Denayer
Jelle Vekeman
Frank De Proft
Peter Van Puyvelde
Dirk E. De Vos
A1
Journal Article
in
ACS APPLIED POLYMER MATERIALS
2024
New tricarboxylate plasticizers for use in polylactic acid : synthesis, thermal behavior, mechanical properties and durability
Anthony De Bruyne
Kenneth Cerdán Gómez
Galahad O'Rourke
Mats Denayer
Jelle Vekeman
Frank De Proft
Wouter Stuyck
Jarne Leinders
Peter Van Puyvelde
Dirk De Vos
A1
Journal Article
in
JOURNAL OF POLYMERS AND THE ENVIRONMENT
2024
Simple molecular model for hydrated silicate ionic liquids, a realistic zeolite precursor
Jelle Vekeman
Dries Vandenabeele
Nikolaus Doppelhammer
Elisabeth Vandeurzen
Eric Breynaert
Christine E. A. Kirschhock
Toon Verstraelen
A1
Journal Article
in
CHEMISTRY OF MATERIALS
2024
Total revalorization of high impact polystyrene (HIPS) : enhancing styrene recovery and upcycling of the rubber phase
Nikolaos S. Giakoumakis
Christophe Vos
Kwinten Janssens
Jelle Vekeman
Mats Denayer
Frank De Proft
Carlos Marquez
Dirk De Vos
A1
Journal Article
in
GREEN CHEMISTRY
2024
Unlocking the potential of ionic hydrogels serving muscle tissue engineering applications
Joeri Van Meerssche
Jelle Vekeman
Toon Verstraelen
J. Madden
Sandra Van Vlierberghe
C3
Conference
2024
2023
A molecular understanding of citrate adsorption on calcium oxalate polyhydrates
Yangyang Su
Jelle Vekeman
Flavio Siro Brigiano
Etienne Paul Hessou
Yuheng Zhao
Diane Sorgeloos
Marc Raes
Tom Hauffman
Kehzi Li
Frederik Tielens
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2023
Development of accurate potentials for the physisorption of water on graphene
Jelle Vekeman
Inmaculada García Cuesta
Noelia Faginas-Lago
José Sánchez-Marín
Alfredo M. J. Sánchez de Merás
A1
Journal Article
in
JOURNAL OF CHEMICAL PHYSICS
2023
Elucidating the impact of chemical variability on the nano-structure of Fe-rich slags
Christina Siakati
Jelle Vekeman
Frederik Tielens
David Seveno
Yiannis Pontikes
A1
Journal Article
in
JOURNAL OF NON-CRYSTALLINE SOLIDS
2023
2022
A sustainable way of recycling polyamides : dissolution and ammonolysis of polyamides to diamines and diamides using ammonia and biosourced glycerol
Wouter Stuyck
Kwinten Janssens
Mats Denayer
Free De Schouwer
Robin Coeck
Katrien V. Bernaerts
Jelle Vekeman
Frank De Proft
Dirk E. De Vos
A1
Journal Article
in
GREEN CHEMISTRY
2022
Nanostructured materials and heterogeneous catalysis : a succinct review regarding DeNox catalysis
Dominique Bazin
Jelle Vekeman
Qing Wang
Xavier Deraet
Frank De Proft
Hazar Guesmi
Frederik Tielens
A1
Journal Article
in
COMPTES RENDUS CHIMIE
2022
Opportunities given by density functional theory in pathological calcifications = Apports de la théorie de la fonctionnelle de la densité (DFT) dans les calcifications pathologiques
Frederik Tielens
Jelle Vekeman
Dominique Bazin
Michel Daudon
A1
Journal Article
in
COMPTES RENDUS CHIMIE
2022
Rules all PIs should follow
Jennifer S. Chen
Chih Ying Huang
Shantanu Lanke
Michael Sanjay Fernandopulle
Yongsheng Ji
Yuan Zhi
Sara Granado Rodríguez
Andrea Y. Frommel
Martin Lukačišin
Yida Zhang
et al.
Other
2022
Synergistic effects in the activity of nano‐transition‐metal clusters Pt12M (M=Ir, Ru or Rh) for NO dissociation
Jelle Vekeman
Qing Wang
Xavier Deraet
Dominique Bazin
Frank De Proft
Hazar Guesmi
Frederik Tielens
A1
Journal Article
in
CHEMPHYSCHEM
2022
2021
Grand canonical Monte Carlo simulations to determine the optimal interlayer distance of a graphene slit-shaped pore for adsorption of methane, hydrogen and their equimolar mixture
Jelle Vekeman
Daniel Bahamon
Inmaculada García Cuesta
Noelia Faginas-Lago
José Sánchez-Marín
Alfredo Sánchez de Merás
Lourdes F. Vega
A1
Journal Article
in
NANOMATERIALS
2021
In search of an efficient complexing agent for oxalates and phosphates : a quantum chemical study
Jelle Vekeman
Javier Torres
Cristina Eugenia David
Els Van de Perre
Karl Martin Wissing
Emmanuel Letavernier
Dominique Bazin
Michel Daudon
Agnieszka Pozdzik
Frederik Tielens
A1
Journal Article
in
NANOMATERIALS
2021
Lanthanum carbonate to control plasma and urinary oxalate level in type 1 primary hyperoxaluria?
Agnieszka Pozdzik
Cristina David
Jelle Vekeman
Frederik Tielens
Michel Daudon
A2
Journal Article
in
IJU CASE REPORTS
2021
Study on the biological behaviors of Ca-P coatings with different morphology on carbon/carbon composites
Yangyang Su
Kezhi Li
Jelle Vekeman
Etienne Paul Hessou
Frederik Tielens
Jing Wang
A1
Journal Article
in
MATERIALS SCIENCE & ENGINEERING C-MATERIALS FOR BIOLOGICAL APPLICATIONS
2021
Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study
Mats Denayer
Jelle Vekeman
Frederik Tielens
Frank De Proft
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2021
2020
A subtle balance between interchain interactions and surface reconstruction at the origin of the alkylthiol/Au(111) self-assembled monolayer geometry
Anne-Julie Truyens
Jelle Vekeman
Frederik Tielens
A1
Journal Article
in
SURFACE SCIENCE
2020
Modeling of complex interfaces : from surface chemistry to nano chemistry
Jelle Vekeman
Frederik Tielens
Editorial material
2020
Morphology of calcium oxalate polyhydrates : a quantum chemical and computational study
Théau Debroise
Thomas Sedzik
Jelle Vekeman
Yangyang Su
Christian Bonhomme
Frederik Tielens
A1
Journal Article
in
CRYSTAL GROWTH & DESIGN
2020
One step further in the elucidation of the crystallographic structure of whitlockite
Théau Debroise
Estefania Colombo
Gustavo Belletti
Jelle Vekeman
Yangyang Su
Robert Papoular
Nathaniel S. Hwang
Dominique Bazin
Michel Daudon
Paola Quaino
et al.
A1
Journal Article
in
CRYSTAL GROWTH & DESIGN
2020
Unravelling phosphate adsorption on hydrous ferric oxide surfaces at the molecular level
Yuanting Weng
Jelle Vekeman
Hailong Zhang
Lei Chou
Marc Elskens
Frederik Tielens
A1
Journal Article
in
CHEMOSPHERE
2020
2019
Flexibility in the graphene sheet : the influence on gas adsorption from molecular dynamics studies
Jelle Vekeman
Jose Sanchez-Marin
Alfredo Sanchez de Meras
Inmaculada Garcia Cuesta
Noelia Faginas-Lago
A1
Journal Article
in
JOURNAL OF PHYSICAL CHEMISTRY C
2019
Molecular dynamics of CH4/N-2 mixtures on a flexible graphene layer : adsorption and selectivity case study
Jelle Vekeman
Noelia Faginas-Lago
Andrea Lombardi
Alfredo Sanchez de Meras
Inmaculada Garcia Cuesta
Marzio Rosi
A1
Journal Article
in
FRONTIERS IN CHEMISTRY
2019
2018
Modeling the interaction of carbon monoxide with flexible graphene : from coupled cluster calculations to molecular-dynamics simulations
Jake Wilson
Noelia Faginas-Lago
Jelle Vekeman
Inmaculada G. Cuesta
José Sánchez-Marín
Alfredo Sánchez de Merás
A1
Journal Article
in
CHEMPHYSCHEM
2018
Nitrogen gas on graphene : pairwise interaction potentials
Jelle Vekeman
Noelia Faginas-Lago
Inmaculada G. Cuesta
José Sánchez-Marín
Alfredo Sánchez De Merás
P1
Conference
2018
Potential models for the simulation of methane adsorption on graphene : development and CCSD(T) benchmarks
Jelle Vekeman
I. G. Cuesta
N. Faginas-Lago
J. Wilson
J. Sanchez-Marin
A. Sanchez de Meras
A1
Journal Article
in
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
2018