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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
Partially reactive force field for the UiO-66 metal-organic framework
Akanksha Nawani, Rocio Semino
UiO-66 is the most widely studied metal-organic framework, on account of its structural tunability given by its capacity of sustaining high amounts of point defects in its structur…