Papers

Recent Publications

2024

• Looping and Gelation Kinetics in Reversible Networks based on Furan and Maleimide
Material Design
Paul van den Tempel, Yang Wang, Thao My Duong, Jozef G. M. Wnikelman, Francesco Picchioni, Andrea Giuntoli, Ranjita Bose*
Materials Chemistry Today (2024)

https://doi.org/10.1016/j.mtchem.2024.102361

• A Coarse Grained Molecular Dynamics Model for the Simulation of Lubricating Greases
Computational Models
Anthony Benois, Sebastian Echeverri Restrepo, Nicola De Laurentis, Femke Hogenberk, Andrea Giuntoli, Piet Lugt*
Tribology Letters (2024)

https://doi.org/10.1007/s11249-024-01878-w

• A Molecular Dynamics Study of Mechanical and Conformational Properties of Conjugated Polymer Thin Films
Computational Models
Yang Wang, Zhaofan Li, Kangmin Niu, Wenjie Xia, Andrea Giuntoli*
Macromolecules (2024)

https://doi.org/10.1021/acs.macromol.4c00232

• Structure-property Relationships of Granular Hybrid Hydrogels Formed through Polyelectrolyte Complexation
Material Design
Julien Es Sayed, Adrivit Mukherjee, Siham El Aani, Nayan Vengallur, Marcus Koch, Andrea Giuntoli, Marleen Kamperman*
Macromolecules (2024)

https://doi.org/10.1021/acs.macromol.3c02335

•Bidispersity Improves the Toughness and Impact Resistance of Star-Polymer Thin Films
Fundamental Research
Utku Gurel, Andrea Giuntoli*
Macro Letters (2024)

https://doi.org/10.1021/acsmacrolett.3c00671

2023

• Semi-Parametric Functional Calibration Using Uncertainty Quantification Based Decision Support
Computational Models
Anton van Beek, Andrea Giuntoli, Nitin K. Hansoge, Sinan Keten, Wei Chen*
Journal of Verification, Validation and Uncertainty Quantification (2023)

https://doi.org/10.1115/1.4062694

• Understanding the Thermomechanical Behavior of Graphene-reinforced Conjugated Polymer Nanocomposites via Coarse-grained Modeling
Material Design
Yang Wang, Zhaofan Li, Dali Sun, Naisheng Jiang, Kangmin Niu, Andrea Giuntoli, Wenjie Xia*
Nanoscale (2023)

https://doi.org/10.1039/D3NR03618A

• Shear Thinning from Bond Orientation in Model Unentangled Bottlebrush Polymer Melts
Fundamental Research
Utku Gurel, Andrea Giuntoli*
Macromolecules (2023)

https://pubs.acs.org/doi/full/10.1021/acs.macromol.3c01061

2021

• Systematic coarse-graining of epoxy resins with machine learning-informed energy renormalization
Computational Models
Andrea Giuntoli, Nitin K. Hansoge, Anton van Beek, Zhaoxu Meng, Wei Chen, Sinan Keten*
npj Comput Mater 7, 168, (2021).

https://doi.org/10.1038/s41524-021-00634-1

• Universal Relation for Effective Interaction between Polymer-Grafted Nanoparticles
Computational Models
Nitin K. Hansoge, Agam Gupta, Heather White, Andrea Giuntoli, and Sinan Keten*
Macromolecules 2021, 54 (7), 3052-3064.

https://doi.org/10.1021/acs.macromol.0c02600

2020

• Predictive relation for the α-relaxation time of a coarse-grained polymer melt under steady shear
Fundamental Research
Andrea Giuntoli, Francesco Puosi, Dino Leporini, Francis W. Starr, and Jack F. Douglas*
Science Advances 2020, 6, eaaz0777.

https://doi.org/10.1126/sciadv.aaz0777

• Boson Peak Decouples from Elasticity in Glasses with Low Connectivity
Fundamental Research
Andrea Giuntoli and Dino Leporini*
Phys. Rev. Lett. 121, 185502.

https://doi.org/10.1103/PhysRevLett.121.185502

• Molecular layers in thin supported films exhibit the same scaling as the bulk between slow relaxation and vibrational dynamics
Fundamental Research
Matteo Becchi, Andrea Giuntoli and Dino Leporini*
Soft Matter, 2018, 14, 8814-8820.

https://doi.org/10.1039/C8SM01891J

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