Continuum–Particle Coupling for Polymer Simulations

Development of a new scheme for concurrent coupling of molecular dynamics and finite element simulations. Application to large-scale deformation of polymer glasses.

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Publication(s)
Publication 1
Title of related publication
Continuum–Particle Coupling for Polymer Simulations
Year of related publication
2025
DOI of related publication (not DOI of data resources)
10.1021/acs.jctc.4c01332
Funding DFG Project No. 233630050-TRR146
Subproject Project B8: Hydrodynamic Simulation of Passive and Active Janus Particles
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