658 citations · 1.3k across the 30 of their papers we have counts for
30 papers
Ballistic atomic transport in narrow carbon nanotubes
Alberto Ambrosetti, Pier Luigi Silvestrelli, John F. Dobson +1
Friction forces are conventionally modeled via semiclassical theories that associate energy dissipation with newtonian motion on corrugated interface potentials. This consolidated…
Sliding properties of Transition Metal Dichalcogenide bilayers
Pier Luigi Silvestrelli, S. Subashchandrabose, Alberto Ambrosetti +1
Transition-metal dichalcogenides (TMDs) are valuable as solid lubricants because of their layered structure, which allows for easy shearing along the basal planes. Using Density Fu…
Roadmap on Advancements of the FHI-aims Software Package
Joseph W. Abbott, Carlos Mera Acosta, Alaa Akkoush +203
Electronic-structure theory is the foundation of the description of materials including multiscale modeling of their properties and functions. Obviously, without sufficient accurac…
Screening and antiscreening effects in endohedral nanotubes
Pier Luigi Silvestrelli, Matteo Tessarolo, Abdolvahab Seif +1
Recently we investigated from first principles screening properties in systems where small molecules, characterized by a finite electronic dipole moment, are encapsulated into diff…
Superfluidity meets the solid-state: frictionless mass-transport through a (5,5) carbon-nanotube
Alberto Ambrosetti, Pier Luigi Silvestrelli, Luca Salasnich
Superfluidity is a well-characterized quantum phenomenon which entails frictionless-motion of mesoscopic particles through a superfluid, such as He or dilute atomic-gases at ve…
MBD+C: how to incorporate metallic character into atom-based dispersion energy schemes
John F. Dobson, Alberto Ambroselli
The dispersion component of the van der Waals (vdW) interaction in low-dimensional metals is known to exhibit anomalous "Type-C non-additivity" [Int. J. Quantum Chem. 114, 1157 (20…