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cond-mat.mtrl-sci2026
Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces
Hari Haran Sudhakar, Alessandra Serva, Rocio Semino
The Hamiltonian-Adaptive Resolution Simulation (H-AdResS) method allows to combine atomistic and particle-based coarse-grained models in a single simulation box, which makes it ver…
cond-mat.mtrl-sci2026
Consistent transition model for Bi0.5Na0.5TiO3 from temperature-dependent structural and electrical properties
Thomas Fourgassie, Omar Ibder, Cosme Milesi-Brault +5
BNT based solid solutions are promising parent materials for lead free dielectric capacitors, thanks to their high recoverable energy densities and breakdown strengths. However, th…