{"paper":{"title":"Machine-learned prediction of carbon interstitial clusters in diamond","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"physics.comp-ph","authors_text":"\\'Ad\\'am Gali, Arsalan Hashemi, Mikko Karttunen, Nima Ghafari Cherati, Tapio Ala-Nissila, Xiaoya Chang","submitted_at":"2026-06-17T21:09:25Z","abstract_excerpt":"Diamond hosts optically active point defects central to quantum technologies, yet the carbon self-interstitials introduced during growth and irradiation compete with them and form new defects whose configurational landscape is poorly charted, as subtle energy differences govern the competing minima and pathways. Here we build an interstitial-focused dataset by active learning and benchmark three machine-learning interatomic potentials -- GAP, NEP and the equivariant MACE -- against density functional theory for energies, forces and migration barriers. MACE reproduces the reference energetics a"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2606.19600","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/2606.19600/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"}