Jan-Joris DEVOGELAER
ESR10: Principles of Conglomerate Formation
Host institution: Radboud University Nijmegen, Netherlands
Supervisor: Prof Elias VLIEG
Industrial toolbox research group: WP5 Enabling Resolution
Individual project research objective: To identify principles of conglomerate formation and define crystal engineering rules for conglomerate design.
Committee membership: Industrial Toolbox Committee
Visits/Secondments: UR, MPI, PCAS
Background
After obtaining his bachelor's degree in chemical technology and material science at KU Leuven, Jan-Joris started his master’s degree in Chemical Engineering (Product Engineering), specializing in the fields of analysis and design of industrial processes, product design, rheology and the design of polymeric systems. Throughout this education, he developed an expertise in modeling and simulation through different projects and eventually he applied for a modeling/datamining based project in the CORE network.
Research Interests
His research interests predominantly lie in datamining, molecular modeling and chemoinformatics of chiral conglomerate systems. His goal is to develop a tool capable of investigating the behavior and finding rules behind conglomerate formation of complex multicomponent chiral systems (salts, solvates, cocrystals) based on Cambridge Structural Database entries. Therefore, he also plans to further specialize in crystallography of chiral systems and the principles behind enabling chiral resolution processes.Contact details
j.devogelaer@science.ru.nl
+31641206261
Host department webpages: http://www.ru.nl/ssc/people/ph-students/jan-joris-devogelaer/
http://www.ru.nl/personen/devogelaer-j/
back to early stage researchers
Dissemination
2020
Conference presentations
Devogelaer, Jan-Joris , H. Meekes, E. Vlieg, R. De Gelder (2020)Data-driven discovery of cocrystals using network science and machine learning
Crystal Conversations, 1 October 2020, Virtual Presentation
Journal
Devogelaer, Jan-Joris , Hugo Meekes, Paul Tinnemans, Elias Vlieg and Rene de Gelder (2020)Cocrystal prediction by artificial neural networks
Angewandte Chemie
https://doi.org/10.1002/anie.202009467 Publication date (Web): 14 August 2020
Webinar
Devogelaer, Jan-Joris , René de Gelder (Duo Presentation) (2020)Data-driven discovery of co-crystals
British Association for Crystal Growth (BACG) and Cambridge Crystallographic Data Centre (CCDC) Crystal Conversations, 1 October 2020
2019
Conference presentations
Devogelaer, Jan-Joris , René de Gelder, Hugo Meekes, Elias Vlieg (2019)Knowledge-based design of cocrystals: partner search for molecules
sIMMposium 2019, Radboud University, 21-22 October 2019
Journal
Devogelaer, Jan-Joris , Sander J.T. Brugman, Hugo Meekes, Paul Tinnemans, Elias Vlieg and René de Gelder (2019)Cocrystal design by network-based link prediction
CrystEngComm
https://doi.org/10.1039/C9CE01110B Publication Date (Web): 3 October 2019
Devogelaer, Jan-Joris , Hugo Meekes, Elias Vlieg, René de Gelder (2019)
Cocrystals in the Cambridge Structural Database: a network approach
Acta Crystallographica Section B: A Journal of the International Union of Crystallography, Pages 371-383
Volume 75.3, June 2019
2018
Poster
Devogelaer, Jan-Joris , R. de Gelder, H. Meekes, E. Vlieg (2018)Cocrystals as a route to chiral conglomerates
Solvay Workshop "Chiral Symmetry Breaking at Molecular Level" 28 - 30 November 2018, ULB, Brussels
Devogelaer, Jan-Joris , R. de Gelder, H. Meekes, and E. Vlieg (2018)
Discovering new cocrystals via coformer-network analysis
31st European Crystallographic Meeting, ECM31, of the European Crystallographic Association will take place in the Palace of Exhibition and Congresses (PEC) in Oviedo, Asturias, 22-27 August 2018
Devogelaer, Jan-Joris , R. de Gelder, H. Meekes, and E. Vlieg (2018)
Discovering new cocrystals via coformer-network analysis
25th International Workshop on Industrial Crystallization (BIWIC), 6-7 September 2018, University of Rouen, France
2017
Blog
Devogelaer, Jan-Joris , Carola Tortora (2017)A taste of industry: interacting with the network’s partners
CORE Blog
CORE Blog post,12 December 2017