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Researcher
Karen Dedecker
- Disciplines:Other physical sciences, Classical physics, Elementary particle and high energy physics
Affiliations
- Department of Applied physics (Department)
Member
From23 Jul 2018 → 20 Sep 2020
Projects
1 - 1 of 1
- Towards systematic methodologies based on enhanced sampling molecular dynamics simulations to construct free energy profiles of complex phase transformations in nanoporous materialsFrom1 Nov 2019 → 31 Aug 2020Funding: FWO fellowships
Publications
1 - 3 of 3
- Ab initio enhanced sampling kinetic study on MTO ethene methylation reaction(2020)
Authors: Simon Bailleul, Karen Dedecker, Pieter Cnudde, Louis Vanduyfhuys
Pages: 38 - 51 - Cation-pi Interactions accelerate the living cationic ring-opening polymerization of unsaturated 2-alkyl-2-oxazolines(2020)
Authors: Elias Van Den Broeck, Bart Verbraeken, Karen Dedecker, Pieter Cnudde, Louis Vanduyfhuys, Toon Verstraelen, Kristof Van Hecke, Valentin-Victor Jerca, Saron Catak, Richard Hoogenboom
Pages: 3832 - 3846 - Protocol for identifying accurate collective variables in enhanced molecular dynamics simulations for the description of structural transformations in flexible metal-organic frameworks(2018)
Authors: Ruben Demuynck, Jelle Wieme, Sven Rogge, Karen Dedecker, Louis Vanduyfhuys
Pages: 5511 - 5526