{"paper":{"title":"Large-scale first-principle simulations of amorphous indium oxide","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":["cond-mat.dis-nn"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Francois Gygi, Giulia Galli, Matthew Bousquet","submitted_at":"2026-07-09T15:49:35Z","abstract_excerpt":"Amorphous indium oxide (a-In$_2$O$_3$) is a high-electron-mobility semiconductor of central importance in thin-film transistors and a promising photoanode for solar-driven water oxidation. Despite sustained experimental and computational investigations, the structural motifs underlying its unusual transport properties and the existence of O-O peroxide-like bonds within its network have remained unresolved. Here we develop a MACE-based machine-learned interatomic potential trained on first-principles molecular dynamics trajectories and use it to generate and analyze amorphous structures contain"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2607.08617","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/2607.08617/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"}