Comparison of coarse-grained models for <i>cis</i> -1,4-polyisoprene-graphite system-Reference-Cited by-同舟云学术

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Comparison of coarse-grained models for cis -1,4-polyisoprene-graphite system

Published:2024-06-03 Issue:12 Volume:50 Page:752-762
ISSN:0892-7022
Container-title:Molecular Simulation
language:en
Short-container-title:Molecular Simulation

Author:

Kumar Giri Rakesh¹,Swaminathan Narasimhan¹²

Affiliation:

1. Computational Materials and Mechanics Group, Department of Mechanical Engineering, Indian Institute of Technology Madras, Chennai, Tamil Nadu, India

2. Center for Responsive Soft Matter, Department of Mechanical Engineering, Indian Institute of Technology Madras, Chennai, Tamil Nadu, India

Publisher

Informa UK Limited

Link

https://www.tandfonline.com/doi/pdf/10.1080/08927022.2024.2353315

Reference57 articles.

1. Coarse-Graining in Polymer Simulation: From the Atomistic to the Mesoscopic Scale and Back

2. Calculation of effective interaction potentials from radial distribution functions: A reverse Monte Carlo approach

3. Interatomic Potentials from First-Principles Calculations: The Force-Matching Method

4. The relative entropy is fundamental to multiscale and inverse thermodynamic problems

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