Slip-Spring Hybrid Particle-Field Model for Coarse-Graining Branched Polymer Melts: Polystyrene Melts as an Example

Detailed description of the extension of the Roberto method (HPF-MD + slip-springs) to branched polymers.

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Publication(s)
Publication 1
Title of related publication
Slip-Spring Hybrid Particle-Field Model for Coarse-Graining Branched Polymer Melts: Polystyrene Melts as an Example
Year of related publication
2022
DOI of related publication (not DOI of data resources)
10.1021/acs.jctc.2c00107
Funding DFG Project No. 233630050-TRR146
Subproject Project A8: Roberto – Improved dynamics in hybrid particle-field molecular dynamics simulations of polymers
Cooperation partner(s) Technical University of Darmstadt
Responsible Person's Name (PI) Prof. Dr. Florian Müller-Plathe
Responsible Person's Email for further data requests f.mueller-plathe@theo.chemie.tu-darmstadt.de
Responsible Person's Affiliation Institute for Physical Chemistry, Technical University of Darmstadt, Germany