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Algebra & Number Theory
Advanced capabilities for materials modelling with Quantum ESPRESSO.
Quantum EXPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the-art electronic-structure techniques, based on density-functional theory,Expand
Electronic structure of atomically precise graphene nanoribbons.
Some of the most intriguing properties of graphene are predicted for specifically designed nanostructures such as nanoribbons. Functionalities far beyond those known from extended graphene systemsExpand
Evidence for Intramolecular N−H···O Resonance-Assisted Hydrogen Bonding in β-Enaminones and Related Heterodienes. A Combined Crystal-Structural, IR and NMR Spectroscopic, and Quantum-Mechanical
The resonance-assisted hydrogen bond (RAHB) is a model of synergistic interplay between π-delocalization and hydrogen-bond (H-bond) strengthening originally introduced (Gilli, G.; Bellucci, F.;Expand
Advanced capabilities for materials modelling with Quantum ESPRESSO.
Quantum ESPRESSO is an integrated suite of open-source computer codes for quantum simulations of materials using state-of-the art electronic-structure techniques, based on density-functional theory,Expand
Many-body perturbation theory calculations using the yambo code.
TLDR
yambo is an open source project aimed at studying excited state properties of condensed matter systems from first principles using many-body methods. Expand
Relative Prym varieties associated to the double cover of an Enriques surface
Given an Enriques surface $T$, its universal K3 cover $f: S\to T$, and a genus $g$ linear system $|C|$ on $T$, we construct the relative Prym variety $P_H=\Prym_{v, H}(\D/\CC)$, where $\CC\to |C|$Expand
Special subvarieties of EPW sextics
We study the geometry of EPW sextics in order to produce special subvarieties. In particular we exhibit a (singular) Enriques surface and we compute its class in the Chow ring of the sextic. In orderExpand
Koopmans' condition for density-functional theory
In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translatesExpand
Probing the mechanism for graphene nanoribbon formation on gold surfaces through X-ray spectroscopy
We studied the formation of graphene nanoribbons (GNRs) via the self-assembly of 10,10′-dibromo-9,9′-bianthryl precursor molecules on gold surfaces with different synchrotron spectroscopies. ThroughExpand
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