DynoPore─A Package to Analyze Molecular Dynamics Trajectories of Confined Liquids
Abstract
We present a Python package, DynoPore, to study the liquids confined in cylindrical and slit-like geometries. Structural analysis functions such as density profiles and radial distribution functions are included to facilitate the understanding of the environment and local structure of liquid molecules within the confined systems. For dynamics, DynoPore includes region-resolved mean-squared displacement and lifetime functions to investigate molecular motion in different regions of the pore. For ionic systems, Dynopore also offer Nernst-Einstein and Einstein-Helfand conductivity analysis functions. By combining these structural and dynamical analysis tools in a single, user-friendly framework, DynoPore delivers a convenient and comprehensive package to analyze confined liquids.
Fields of Study & Subjects
Nanopore and Nanochannel Transport Studies
Material Dynamics and Properties
Quantum
superfluid
helium dynamics
Publication details
- Journal / source
- Journal of Chemical Information and Modeling
- Publisher
- American Chemical Society (ACS)
- Volume
- 66
- Issue
- 3
- Pages
- 1617–1625
- Publication date
- 16 January 2026
- Language
- EN