PolySMart: a general coarse-grained molecular dynamics polymerization scheme-Reference-Cited by-同舟云学术

PolySMart: a general coarse-grained molecular dynamics polymerization scheme

Published:2023 Issue:6 Volume:10 Page:2281-2296
ISSN:2051-6347
Container-title:Materials Horizons
language:en
Short-container-title:Mater. Horiz.

Author:

Mousavifard Seyyed Mohammad¹,Ghermezcheshme Hassan¹,Mirzaalipour Alireza¹,Mohseni Mohsen¹,de With Gijsbertus²^ORCID,Makki Hesam³^ORCID

Affiliation:

1. Department of Polymer and Color Engineering, Amirkabir University of Technology, 424 Hafez Ave., Tehran, Iran

2. Laboratory of Physical Chemistry, Department of Chemical Engineering & Chemistry, Eindhoven University of Technology, POB 513, NL-5600 MB Eindhoven, The Netherlands

3. Department of Chemistry and Materials Innovation Factory, University of Liverpool, Liverpool L69 7ZD, UK

Abstract

PolySMart enables modeling of real-size (linear, branched and network) polymers through mimicking a great variety of chemistry. It unlocks simulation of co-occurring polymerization reactions under non-stoichiometric conditions.

Publisher

Royal Society of Chemistry (RSC)

Subject

Electrical and Electronic Engineering,Process Chemistry and Technology,Mechanics of Materials,General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2023/MH/D3MH00088E

Reference91 articles.

1. High-Throughput Routes to Biomaterials Discovery

2. Learning Matter: Materials Design with Machine Learning and Atomistic Simulations

3. Fast Atomistic Molecular Dynamics Simulations from Essential Dynamics Samplings

4. Modeling and Simulations of Polymers: A Roadmap

5. Supramolecular Engineering of Alkylated, Fluorinated, and Mixed Amphiphiles

Cited by 5 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Coarse-Grained Simulations of Columnar Ionic Liquid Crystals: Comparison with Experiments;The Journal of Physical Chemistry B;2024-08-20

2. PCL-based composites and their utilizations in the medical sector;Bioresorbable Polymers and their Composites;2024

3. Molecular Insight into the Effect of Polymer Topology on Wettability of Block Copolymers: The Case of Amphiphilic Polyurethanes;Langmuir;2023-12-15

4. Evaluating the adhesion response of acrylonitrile-butadiene-styrene (ABS)/thermoplastic polyurethane (TPU) fused interface using multiscale simulation and experiments;Materials & Design;2023-08

5. Reactive Martini: Chemical Reactions in Coarse-Grained Molecular Dynamics Simulations;Journal of Chemical Theory and Computation;2023-06-16