2 papers
cond-mat.mtrl-sci2026
Heat transport in superionic materials via machine-learned molecular dynamics
Wenjiang Zhou, Benrui Tang, Zheyong Fan +3
Precise modeling and understanding of heat transport in the superionic phase are of great interest. Although simulations combining Green-Kubo (GK) molecular dynamics with machine-l…
cond-mat.mtrl-sci2024
Birth and ephemeral life of pseudopotential alchemy
Stefano Baroni
The theory of band offsets at semiconductor interfaces has been one of Alfonso Baldereschi most cherished topics, to which he has made significant contributions, both directly and…