Predicting the Mobility Increase of Coarse-Grained Polymer Models from Excess Entropy Differences
Author:
Affiliation:
1. Eduard-Zintl-Institut für Anorganische und Physikalische Chemie, Technische Universität Darmstadt, Alarich-Weiss-Straße 8, 64287 Darmstadt, Germany
Funder
Deutsche Forschungsgemeinschaft
Conselho Nacional de Desenvolvimento Cient?fico e Tecnol?gico
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.9b01088
Reference99 articles.
1. Perspective: Coarse-grained models for biomolecular systems
2. Systematic coarse-graining methods for soft matter simulations – a review
3. Resolving Dynamic Properties of Polymers through Coarse-Grained Computational Studies
4. Why are coarse-grained force fields too fast? A look at dynamics of four coarse-grained polymers
5. Challenges in Multiscale Modeling of Polymer Dynamics
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