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cond-mat.mes-hall2019
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…
cond-mat.mes-hall2018
Molecular QCA embedding in microporous materials
Alberto M. Pintus, Andrea Gabrieli, Federico G. Pazzona +2
We propose a new environment for information encoding and transmission via a novel type of molecular Quantum Dot Cellular Automata (QCA) wire, composed of a single row of head-to-t…
cond-mat.mes-hall2018
Local free energy approximations for the coarse-graining of adsorption phenomena
Federico G. Pazzona, Giovanni Pireddu, Andrea Gabrieli +2
We investigate the coarse-graining of host-guest systems under the perspective of the local distribution of pore occupancies, along with the physical meaning and actual computabili…