Projects per year
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Collaborations and top research areas from the last five years
Projects
- 2 Finished
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FWOTM1148: Accelerating the Diels-Alder kinetics of self-healing polymer network: new insights from a combined density functional theory and molecular dynamics approach
De Vleeschouwer, F. (Administrative Promotor), Van den Brande, N. (Co-Promotor) & Vermeersch, L. (Mandate)
1/11/22 → 30/06/26
Project: Fundamental
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OZR3835: Backup mandate Research Council: Understanding and accelerating the Diels-Alder kinetics of self- healing polymer networks using a combined density functional theory and molecular dynamics approach
De Vleeschouwer, F. (Administrative Promotor) & Vermeersch, L. (Mandate)
1/11/21 → 31/10/22
Project: Fundamental
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Open AccessFile6 Downloads (Pure)
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A Comprehensive Methodology for Developing Dynamic Polymer Networks: Combining Computational Predictions, Synthesis, and Characterization
Mangialetto, J., Vermeersch, L., Pan, R., De Vleeschouwer, F., Hennecke, U. & Van den Brande, N., 26 May 2025. 1 p.Research output: Unpublished contribution to conference › Poster
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Breaking Down the Building Blocks: Quantum Chemical Analysis of Diels–Alder Reactions for Future Self-Healing and Recyclable Polymer Networks
Vermeersch, L., Verhelle, R., Brande, N. V. D. & Vleeschouwer, F. D., 14 Jan 2025, In: Macromolecules. 58, 1, p. 32-44 13 p.Research output: Contribution to journal › Article › peer-review
Open AccessFile7 Citations (Scopus)12 Downloads (Pure) -
Conceptual DFT Meets Machine Learning: A New Route to Enhanced Diels–Alder Reactivity
Jacobs, M., Vermeersch, L. & Vleeschouwer, F. D., 5 Dec 2025, In: Journal of Computational Chemistry. 46, 31, 14 p., e70277.Research output: Contribution to journal › Article › peer-review
1 Citation (Scopus) -
Experimental Development of Self-Healing Polymer Networks Supported by DFT Calculations
Mangialetto, J., Vermeersch, L., Pan, R., De Vleeschouwer, F., Hennecke, U. & Van den Brande, N., 7 Dec 2025, In: Macromolecules. 58, 24, p. 13412-13428 17 p.Research output: Contribution to journal › Article › peer-review
2 Downloads (Pure)
Activities
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KBS project - Dat proeft naar meer - het VUB studentenrestaurant als katalysator voor duurzame eetgewoontes
Vermeersch, L. (Supervisor), Macharis, C. (Supervisor) & Aerenhouts, D. (Supervisor)
2025 → …Activity: Other
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New Bauhaus 2025EIT Community_CoCreateNEB Call for proposals 2025 - Project Ratatouille op Vadrouille
Vermeersch, L. (Supervisor), Macharis, C. (Supervisor), Vervoort, I. (Supervisor) & Lode, M. L. (Supervisor)
2025 → 2026Activity: Other
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Chemistry Day 2023
Vermeersch, L. (Chair), Eeckhoudt, J. (Chair), Cauwenbergh, T. (Chair) & Vandeputte, D. (Chair)
12 Nov 2024Activity: Participating in or organising an event › Participating in or organizing a festival/exhibition
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Back to the future! Visionaire afterwork
Vermeersch, L. (Speaker)
20 Mar 2024Activity: Talk or presentation › Talk at a public lecture/debate
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Vrije Universiteit Brussel (Organisational unit)
Vermeersch, L. (Member)
2024 → …Activity: Membership › Work on academic committees and working groups
Press/Media
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Diels-Alder database for computing and experimenting
29/01/25
1 item of Media coverage
Press/Media: Other
Thesis
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Benchmarking Multiscale Model of Self-Healing Materials: Integrating ReaxFF based Molecular Dynamics for Covalent Adaptable Networks Development
Vermeersch, L. (Advisor), De Vleeschouwer, F. (Promotor), Mangialetto, J. (Co-promotor) & Delvalle, K. ((PhD) Student), De Vleeschouwer, F. (Promotor) & Mangialetto, J. (Co-promotor), 2025Student thesis: Master's Thesis
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Predicting global and local reactivity descriptors, the neural network approach
Jacobs, M. ((PhD) Student), De Vleeschouwer, F. (Promotor), Vermeersch, L. (Advisor), Geerlings, P. (Jury) & Elskens, M. (Jury), De Vleeschouwer, F. (Promotor), Sept 2022Student thesis: Master's Thesis