A review of multiscale computational methods in polymeric materials

A Gooneie, S Schuschnigg, C Holzer - Polymers, 2017 - mdpi.com
Polymeric materials display distinguished characteristics which stem from the interplay of
phenomena at various length and time scales. Further development of polymer systems …

Self-assembly of perovskite nanocrystals: from driving forces to applications

Y Li, F Zhang - Journal of Energy Chemistry, 2024 - Elsevier
Self-assembly of metal halide perovskite nanocrystals (NCs) into superlattices can exhibit
unique collective properties, which have significant application values in the display …

An elementary singularity-free rotational brownian dynamics algorithm for anisotropic particles

IM Ilie, WJ Briels, WK den Otter - The Journal of chemical physics, 2015 - pubs.aip.org
Brownian Dynamics is the designated technique to simulate the collective dynamics of
colloidal particles suspended in a solution, eg, the self-assembly of patchy particles …

Computational modeling of passive transport of functionalized nanoparticles

D Moreno-Chaparro, N Moreno, FB Usabiaga… - The Journal of …, 2023 - pubs.aip.org
Functionalized nanoparticles (NPs) are complex objects present in a variety of systems
ranging from synthetic grafted nanoparticles to viruses. The morphology and number of the …

The design of highly conductive and stretchable polymer conductors with low-load nanoparticles

YT Sun, C Zhao, YL Zhu, JL Guan, LL Zhang, L Wei… - Soft Matter, 2023 - pubs.rsc.org
Highly conductive and stretchable polymer conductors fabricated from conductive fillers and
stretchable polymers are urgently needed in flexible electronics, implants, soft robotics, etc …

Brownian cluster dynamics with short range patchy interactions: Its application to polymers and step-growth polymerization

A Prabhu, SB Babu, JS Dolado… - The Journal of chemical …, 2014 - pubs.aip.org
We present a novel simulation technique derived from Brownian cluster dynamics used so
far to study the isotropic colloidal aggregation. It now implements the classical Kern-Frenkel …

Self-assembly of kagome lattices, entangled webs and linear fibers with vibrating patchy particles in two dimensions

GA Chapela, O Guzmán, JA Martínez-González… - Soft Matter, 2014 - pubs.rsc.org
A vibrating version of patchy particles in two dimensions is introduced to study self-assembly
of kagome lattices, disordered networks of loo** structures, and linear arrays …

A computer simulation study of the hierarchical assembly behaviour of triblock patchy particles

YC Li, NB Zhang, Z Wei, BY Li, MT Li, Y Li - Molecular Simulation, 2019 - Taylor & Francis
We study the hierarchical self-assembly behaviour of ACB triblock patchy particles via
Brownian dynamics (BD) simulations, where the product of the first stage is set as the initial …

[PDF][PDF] 金纳米粒子和聚合物复合体系分子设计与组装过程的计算机模拟

**延春, **洋 - 化学进展, 2015 - manu56.magtech.com.cn
金纳米粒子除了拥有纳米粒子的体积效应, 表面效应, 量子尺寸效应, 宏观量子隧道效应等优异
性能之外, 还有一些特殊性能, 如良好的稳定性, 抗菌抑菌功能, 表面吸收带效应, 荧光效应等 …