Membrane technology is essential in addressing global challenges in water treatment and resource recovery. The integration of molecular dynamics in membrane design represents a significant leap in understanding and enhancing membrane functionality at the molecular level. This approach allows for the precise tailoring of membrane properties to target specific pollutants, optimize desalination processes, and maximize resource recovery from brine. The exploration of molecular interactions, transport mechanisms, and the impact of nano-structuring on membrane efficiency opens new pathways for innovative solutions in water treatment technologies.

This Research Topic aims to delve into the intricate world of molecular dynamics in membrane design, focusing on its application in wastewater treatment, desalination, and resource recovery. We seek contributions showcasing the latest advancements and novel approaches in molecular dynamics for membrane innovation. Articles that provide insights into the fundamental understanding of membrane interactions at the molecular level, as well as those demonstrating practical applications in enhancing membrane efficiency and sustainability, are particularly encouraged. The goal is to present a collection of research that bridge the gap between molecular science and practical membrane technology applications.

We welcome the submission of Original Research, Review, Mini Review, and Perspective articles on themes including, but not limited to:

• Molecular dynamics simulations in membrane design

• Advanced membrane materials engineered through molecular understanding

• Impact of nano-structuring on membrane functionality

• Molecular-level studies of membrane fouling and pollution control

• Integration of molecular dynamics in resource recovery from brine

Submissions should provide a clear connection between molecular dynamics and practical membrane applications. Interdisciplinary studies that blend chemistry, physics, materials science, and environmental engineering are highly encouraged.

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Frontiers in Chemical Engineering

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