Dissipative particle dynamics (DPD) is one of the most efficient mesoscale coarse-grained
methodologies for modeling soft matter systems. Here, we comprehensively review the …

Dissipative particle dynamics (DPD) belongs to a class of models and computational
algorithms developed to address mesoscale problems in complex fluids and soft matter in …

The Berendsen barostat from molecular dynamics simulation is applied in both standard
dissipative particle dynamics (DPD) and many-body dissipative particle dynamics (MDPD) …

We describe the development of a density-dependent transferable coarse-grain model of
crystalline hexahydro-1, 3, 5-trinitro-s-triazine (RDX) that can be used with the energy …

We present an extension of the generalized energy-conserving dissipative particle dynamics
method (J. Bonet Avalos, et al., Phys Chem Chem Phys, 2019, 21, 24891–24911) to include …

A suite of computational tools is described for particle-based mesoscale simulations of the
nonequilibrium dynamics of energetic solids, including mechanical deformation, phase …

Dissipative Particle Dynamics (DPD) is a powerful mesoscopic modelling technique that is
routinely used to predict complex fluid morphology and structural properties. While its ability …

Conventional artificial nanochannels have obvious shortcomings in permeability regulation
and environmental friendliness, which challenge their practical applications. Polymer …

In this article we demonstrate that contrary to general belief, the standard Einstein–Helfand
(EH) formulas are valid for the evaluation of transport coefficients of systems containing …

Dissipative particle dynamics (DPD) simulations are performed to study the phase transition
of sodium dodecyl sulfate (SDS) in aqueous solution, which is an anionic surfactant …