Coarse-Grained and Reverse-Mapped United-Atom Simulations of Long-Chain Atactic Polystyrene Melts: Structure, Thermodynamic Properties, Chain Conformation, and Entanglements

By T. Spyriouni, C. Tzoumanekas, D. Theodorou, Florian Müller-Plathe, G. Milano. 2007

177 citations recorded by the source corpus.

Subfields: Biomedical Engineering, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/b30c5c3fb3b7aa07ae10c7eb6274ac65170ca7d5

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Biomedical Engineering

1. Ying Li
2. Brendan C. Abberton
3. Wing Kam Liu
4. Martin Kröger
5. Billy D. Todd
6. Peter J. Daivis

In Materials Chemistry

1. Ying Li
2. Brendan C. Abberton
3. Wing Kam Liu
4. Martin Kröger
5. Ted Belytschko
6. D. Qian
7. Jacob Fish
8. Gregory J. Wagner

Citations in the corpus

• Challenges in Multiscale Modeling of Polymer Dynamics (2013, methodology): “As the equilibration of a coarse-grained polymer is much faster and easier than the all-atomistic one, the back-mapping procedure can be used to quickly generate equilibrated all-atomistic models of highly entangled polymers, including polycarbonates [177,235,341], polystyrene [198,201] and polyamid”