The functional properties of molecular systems are generally determined by the sum of many
weak non-covalent interactions, and therefore methods for predicting the relative …

Abstract Machine learning has proven to be technically flexible in recent years, which allows
it to be successfully implemented in problems in various areas of knowledge. Carbon …

A comprehensive understanding of interfacial behavior in water/oil/surfactant systems is
critical to evaluating the performance of emulsions in various industries, specifically in the oil …

Biological and biomimetic membranes are based on lipid bilayers, which consist of two
monolayers or leaflets. To avoid bilayer edges, which form when the hydrophobic core of …

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 …

In this article, we present a general parametrisation scheme for many-body dissipative
particle dynamics (MDPD). The scheme is based on matching model components to …

Over the last decade, the availability of computer time, together with new algorithms capable
of exploiting parallel computer architectures, has opened up many possibilities in …

Dissipative particle dynamics (DPD) provides a powerful coarse-grained simulation
technique for the study of a wide range of soft matter systems. Here, we investigate the …

Fatty alcohols (C n FAs) combined with cationic surfactants are common ingredients of
lamellar-phase personal care liquids. We employ mesoscopic modelling to study. how …

Grease is an important type of lubricant. In this study, a computational simulation strategy
suitable for revealing the self-assembled structure of grease and its formation mechanism is …