This Review explores the dynamic behavior of water within nanopores and biological
channels in lipid bilayer membranes. We focus on molecular simulation studies, alongside …

In this review, we examine the potential and the challenges of designing an ultrathin reverse
osmosis (RO) membrane from graphene, focusing on the role of computational methods in …

Fluid phase transitions inside single, isolated carbon nanotubes are predicted to deviate
substantially from classical thermodynamics. This behaviour enables the study of ice …

Nanoporous graphene (NPG) shows tremendous promise as an ultra-permeable membrane
for water desalination thanks to its atomic thickness and precise sieving properties …

Membranes made from nanomaterials such as nanotubes and graphene have been
suggested to have a range of applications in water filtration and desalination, but …

Recent experimental results suggest that stacked layers of graphene oxide exhibit strong
selective permeability to water. To construe this observation, the transport mechanism of …

As a sustainable, cost-effective and energy-efficient method, membranes are becoming a
progressively vital technique to solve the problem of the scarcity of freshwater resources …

Optimizing ion transport through nanoporous graphene membranes with intricate
engineering at nanoscale levels finds applications ranging from ion segregation to …

Although the importance of temperature control in nonequilibrium molecular dynamics
simulations is widely accepted, the consequences of the thermostatting approach in the …

Providing clean water and sufficient affordable energy to all without compromising the
environment is a key priority in the scientific community. Many recent studies have focused …