Previous research has shown that adsorbates in zeolites spend a majority of the time in localized regions with the pore--adsorption sites. These sites are energetically the most favorable locations with the pore.

By mapping both potential energy distribution or the adsorbate density distribution (or both) within the pore, we gain valuable information

the energetic depth of the adsorption sites (energy of adsorption)
the number, placement, and shape of the adsorption sites
the accessible volume
the minimum energy paths between sites
the site-to-site activation energy (activation energy of diffusion.

In short, understanding where the adsorption sites are located is tantamount to understanding the molecular-level detail of adsorption and diffusion of adsorbates in zeolites.