Dissipative particle dynamics simulations in colloid and Interface science: A review

KP Santo, AV Neimark - Advances in colloid and interface science, 2021 - Elsevier
Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained
methodologies for modeling soft matter systems. Here, we comprehensively review the …

[HTML][HTML] DPD modelling of the self-and co-assembly of polymers and polyelectrolytes in aqueous media: Impact on polymer science

K Procházka, Z Limpouchová, M Štěpánek, K Šindelka… - Polymers, 2022 - mdpi.com
This review article is addressed to a broad community of polymer scientists. We outline and
analyse the fundamentals of the dissipative particle dynamics (DPD) simulation method from …

Modeling aggregation of ionic surfactants using a smeared charge approximation in dissipative particle dynamics simulations

R Mao, MT Lee, A Vishnyakov… - The Journal of Physical …, 2015 - ACS Publications
Using dissipative particle dynamics (DPD) simulations, we explore the specifics of
micellization in the solutions of anionic and cationic surfactants and their mixtures. Anionic …

Parametrization of chain molecules in dissipative particle dynamics

MT Lee, R Mao, A Vishnyakov… - The Journal of Physical …, 2016 - ACS Publications
This paper presents a consistent strategy for parametrization of coarse-grained models of
chain molecules in dissipative particle dynamics (DPD), where the soft-core DPD interaction …

[HTML][HTML] Coarse-grained model of water diffusion and proton conductivity in hydrated polyelectrolyte membrane

MT Lee, A Vishnyakov, AV Neimark - The Journal of Chemical Physics, 2016 - pubs.aip.org
Using dissipative particle dynamics (DPD), we simulate nanoscale segregation, water
diffusion, and proton conductivity in hydrated sulfonated polystyrene (sPS). We employ a …
X Li, L Gao, W Fang - PLoS One, 2016 - journals.plos.org
In this article, a new set of parameters compatible with the dissipative particle dynamics
(DPD) force field is developed for phospholipids. The coarse-grained (CG) models of these …

Analysis of the internal motions of thermoresponsive polymers and single chain nanoparticles

MJA Hore - Soft Matter, 2025 - pubs.rsc.org
Data-driven techniques, such as proper orthogonal decomposition (POD) and uniform
manifold approximation & projection (UMAP), are powerful methods for understanding …