32 citations · 55 across the 7 of their papers we have counts for
8 papers
Molecular simulations have boosted knowledge of CRISPR/Cas9: A Review
Angana Ray, Rosa Di Felice
Genome editing allows scientists to change an organism's DNA. One promising genome editing protocol, already validated in living organisms, is based on clustered regularly interspa…
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…
First principle theory of correlated transport through nano-junctions
A. Ferretti, A. Calzolari, R. Di Felice +4
We report the inclusion of electron-electron correlation in the calculation of transport properties within an ab initio scheme. A key step is the reformulation of Landauer's approa…
Charge Transport in DNA-Based Devices
Danny Porath, Gianaurelio Cuniberti, Rosa Di Felice
Charge migration along DNA molecules has attracted scientific interest for over half a century. Reports on possible high rates of charge transfer between donor and acceptor through…
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…