32 citations · 55 across the 7 of their papers we have counts for
3 papers · 1 filter
Maximally localized Wannier functions from PAW or ultrasoft pseudopotentials
Andrea Ferretti, Arrigo Calzolari, Benedetta Bonferroni +1
We report a theoretical scheme that enables the calculation of maximally localized Wannier functions in the formalism of projector-augmented-waves (PAW) which also includes the ult…
Electronic properties of guanine-based nanowires
Arrigo Calzolari, Rosa Di Felice, Elisa Molinari
We present a first-principle study of the electronic and conduction properties of a few classes of nanowires constituted of guanine (G) molecules, self-assembled in different geome…
Electron channels in biomolecular nanowires
Arrigo Calzolari, Rosa Di felice, Elisa Molinari +1
We report a first-principle study of the electronic and conduction properties of a quadruple-helix guanine wire (G4-wire), a DNA-derivative, with inner potassium ions. The analysis…