The circular and ring structures in many synthetic or natural systems simultaneously
experience local and long-range forces. In this work, we use numerical simulations to …

Macromolecules can gain special properties by adopting knotted conformations, but
engineering knotted macromolecules is a challenging task. Here, we unexpectedly find that …

Active polymers possess numerous unique properties that are quite different from those
observed in the system of small active molecules due to the intricate interplay between their …

The dynamics of active entangled chains using molecular dynamics simulations of a
modified Kremer–Grest model. The active chains are diluted in a mesh of very long passive …

The phoretic Brownian dynamics method is shown here to be an effective approach to
simulate the properties of colloidal chemophoretic based systems. The method is then …

Thermodynamic behavior of polymer chains out of equilibrium is a fundamental problem in
both polymer physics and biological physics. By using molecular dynamics simulation, we …

Understanding active matter has led to new perspectives on biophysics and non-equilibrium
dynamics. However, the development of numerical tools for simulating active fluids capable …

We present HTMPC, a Heavily Templated C++ library for large-scale simulations
implementing multi-particle collision dynamics (MPC), a particle-based mesoscale …

The increasing demand for high signal transmission speed and low loss is attracting
research efforts to design low dielectric constant (low-k) polymers. In this paper, a novel …

The structural and dynamical properties of active filamentous objects under macromolecular
crowding have a great relevance in biology. By means of Brownian dynamics simulations …