Estimating water transport in carbon nanotubes: a critical review and inclusion of scale effects
The quasi-frictionless water flow across graphitic surfaces offers vast opportunities for a wide
range of applications from biomedical science to energy. However, the conflicting …
range of applications from biomedical science to energy. However, the conflicting …
Estimating position-dependent and anisotropic diffusivity tensors from molecular dynamics trajectories: Existing methods and future outlook
TS Domingues, R Coifman… - Journal of Chemical …, 2024 - ACS Publications
Confinement can substantially alter the physicochemical properties of materials by breaking
translational isotropy and rendering all physical properties position-dependent. Molecular …
translational isotropy and rendering all physical properties position-dependent. Molecular …
Slip Opacity and Fast Osmotic Transport of Hydrophobes at Aqueous Interfaces with Two-Dimensional Materials
We investigate the interfacial transport of water and hydrophobic solutes on van der Waals
bilayers and heterostructures formed by stacking graphene, hBN, and MoS2 using extensive …
bilayers and heterostructures formed by stacking graphene, hBN, and MoS2 using extensive …
On the Statistical Mechanics of Mass Accommodation at Liquid–Vapor Interfaces
We propose a framework for describing the dynamics associated with the adsorption of
small molecules to liquid–vapor interfaces using an intermediate resolution between …
small molecules to liquid–vapor interfaces using an intermediate resolution between …