Atomistic hybrid particle‐field molecular dynamics combined with slip‐springs : Restoring entangled dynamics to simulations of polymer melts
Author:
Affiliation:
1. Eduard‐Zintl‐Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt Darmstadt Germany
2. Department of Organic Materials Science Yamagata University Yamagata‐ken Japan
Funder
Deutsche Forschungsgemeinschaft
Publisher
Wiley
Subject
Computational Mathematics,General Chemistry
Link
https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26428
Reference95 articles.
1. Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back
2. Hybrid particle-field molecular dynamics simulations for dense polymer systems
3. Stable and unstable phases of a diblock copolymer melt
4. Combinatorial Screening of Complex Block Copolymer Assembly with Self-Consistent Field Theory
5. Generation of Well-Relaxed All-Atom Models of Large Molecular Weight Polymer Melts: A Hybrid Particle-Continuum Approach Based on Particle-Field Molecular Dynamics Simulations
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