40 citations · 85 across the 5 of their papers we have counts for
3 papers · 1 filter
Scaling-up Simulations of Diffusion in Microporous Materials
Giovanni Pireddu, Federico G. Pazzona, Pierfranco Demontis +1
We introduce and demonstrate the coarse-graining of static and dynamical properties of host-guest systems constituted by methane in two different microporous materials. The referen…
A New Kind of Atlas of Zeolite Building Blocks
Benjamin A. Helfrecht, Rocio Semino, Giovanni Pireddu +2
We have analysed structural motifs in the Deem database of hypothetical zeolites, to investigate whether the structural diversity found in this database can be well-represented by…
Spatial coarse-graining of methane adsorption in graphene materials
Giovanni Pireddu, Federico G. Pazzona, Alberto M. Pintus +2
We investigate the spatial coarse-graining of interactions in host-guest systems within the framework of the recently proposed Interacting Pair Approximation (IPA). Basically, the…