3 papers
cond-mat.mtrl-sci2026
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…
cond-mat.mes-hall2026
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…
cond-mat.mtrl-sci2025
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…