{"paper":{"title":"ALKEMIE Agent: an autonomous platform for computational materials design","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["cs.AI"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Ao Xu, Bo Liu, Changrui Wang, Fengkai Liu, Hanyu Liu, Hongfu Huang, Jian Zhou, Kan Tang, Linggang Zhu, Naihua Miao, Ning Yang, Pengpeng Zhang, Shengxian Liu, Tong Zhao, Yichen Lu, Yuzhe Li, Zhimei Sun","submitted_at":"2026-08-16T14:54:00Z","abstract_excerpt":"Despite the powerful multi-scale modeling methods and high-throughput infrastructures established in the materials community, real material computation workflows remain fragmented and heavily manual, requiring researchers to constantly bridge software tools, data analysis, and intermediate decisions. This growing gap between methodological capability and practical execution highlights the need for a new kind of autonomous computational framework, one that can coordinate tools, knowledge, and workflows in a more unified and adaptive way. Here, we introduce ALKEMIE Agent, an agentic platform in "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2608.15776","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/2608.15776/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"}