Pulsed laser polymerization to retrieve kinetic parameters for a propagated mid-chain radical in poly(n-butyl acrylate) synthesis : a combined DFT and kinetic Monte Carlo study
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Polymer Chemistry - ISSN 1759-9954-16:31 (2025) p. 3496-3510
Benchmark cases and guidelines for kinetic Monte Carlo simulations with linear polymers
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Industrial and engineering chemistry research - ISSN 0888-5885-64:20 (2025) p. 9974-9992
A model-based protocol to quantify scission-crosslinking competition and gelation from molecular to material level for grafting-based reactive extrusion of poly(lactic acid)
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Chemical engineering journal - ISSN 1385-8947-507 (2025) p. 1-14
A signal‐to‐noise‐ratio‐based automated algorithm to accelerate kinetic Monte Carlo convergence in basic polymerizations
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Advanced theory and simulations - ISSN 2513-0390-7:2 (2024) p. 1-16
Upgrading event driven Monte Carlo simulations for molecule‐based morphological control for battery and sensor applications
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Applied Research - ISSN 2702-4288-3:5 (2024) p. 1-10