✦ LIBER ✦

Mapping Atomistic Simulations to Mesoscopic Models: A Systematic Coarse-Graining Procedure for Vinyl Polymer Chains

✍ Scribed by Milano, Giuseppe; Müller-Plathe, Florian

Book ID: 120985043
Publisher: American Chemical Society
Year: 2005
Tongue: English
Weight: 307 KB
Volume: 109
Category: Article
ISSN: 0022-3654
DOI: 10.1021/jp0523571

No coin nor oath required. For personal study only.

📜 SIMILAR VOLUMES

From Mesoscale Back to Atomistic Models:

From Mesoscale Back to Atomistic Models: A Fast Reverse-Mapping Procedure for Vinyl Polymer Chains

✍ Santangelo, Giuseppe; Di Matteo, Andrea; Müller-Plathe, Florian; Milano, Giusepp 📂 Article 📅 2007 🏛 American Chemical Society 🌐 English ⚖ 308 KB

A systematic procedure to build a relaxe

A systematic procedure to build a relaxed dense-phase atomistic representation of a complex amorphous polymer using a coarse-grained modeling approach

✍ Xianfeng Li; Robert A. Latour 📂 Article 📅 2009 🏛 Elsevier Science 🌐 English ⚖ 948 KB

A systematic procedure has been developed to construct a relaxed dense-phase atomistic structure of a complex amorphous polymer. The numerical procedure consists of (1) coarse graining the atomistic model of the polymer into a mesoscopic model based on an iterative algorithm for potential inversion