The aversion of hydrophobic solutes for water drives diverse interactions and assemblies
across materials science, biology, and beyond. Here, we review the theoretical …

Membrane fouling remains a notorious problem in microfiltration (MF) and ultrafiltration (UF),
and a systematic understanding of the fouling mechanisms is fundamental for solving this …

The flotation separation of water-soluble salt minerals has to be conducted under the
condition of saturation in brines which represents a challenging but exciting topic of colloid …

In the last few years, much attention has been devoted to the control of the wettability
properties of surfaces modified with functional groups. Molecular dynamics (MD) simulation …

The hydrophobicity of proteins and similar surfaces, which display chemical heterogeneity at
the nanoscale, drives countless aqueous interactions and assemblies. However, predicting …

We present a comprehensive review of methods and applications of molecular simulations
of interfacial systems. We give a detailed overview of the main techniques and major …

Nature has been a constant source of inspiration for technological developments. Recently,
the study of nature-inspired materials has expanded to the micro-and nanoscale, facilitating …

The rational design of dielectric fluids for immersion cooling of batteries requires a molecular-
level understanding of the heat flow across the battery casing/dielectric fluid interface. Here …

As one common unconventional reservoir, shale plays a pivotal role to compensate the
depletion of conventional oil resources. There are numerous nanoscale pores and ultra …

Engineering nano-and microscale systems for water filtration, drug delivery, and biosensing
is enabled by the intrinsic interactions of ionic compounds in aqueous environments and …