{"paper":{"title":"Bottlenecks in Hamiltonian-Adaptive Resolution Simulation Method for Modeling Interfaces","license":"http://creativecommons.org/licenses/by-nc-nd/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"2), 80039 Amiens Cedex, Alessandra Serva (1, CNRS, F-75005, France), France. (2) R\\'eseau sur le Stockage Electrochimique de l'Energie (RS2E), FR CNRS 3459, Hari Haran Sudhakar (1), Paris, Physicochimie des \\'Electrolytes et Nanosyst\\`emes Interfaciaux, Rocio Semino (1) ((1) Sorbonne Universit\\'e","submitted_at":"2026-07-02T16:46:40Z","abstract_excerpt":"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 very attractive to model systems containing interfaces or reactive regions surrounded by an interacting environment. In our previous work [arXiv:2604.21867], we implemented H-AdResS in LAMMPS 2023 and extended its use to interfaces, focusing on MOF/CO$_2$ interfaces as an example. We found that, despite its advantages, using this method properly for this kind of systems is not trivial. In this work, an in-depth analysis"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.02415","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2607.02415/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}