{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:XNIQ4PIUBOGNHVABLCXRI43ZIF","merge_version":"pith-open-graph-merge-v1","event_count":2,"valid_event_count":2,"invalid_event_count":0,"equivocation_count":0,"current":{"canonical_record":{"metadata":{"abstract_canon_sha256":"13e8e86634e34be7eadf2520841dc2aec42b417d0ff6c037bc2125a93a877d4d","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-05-01T17:45:47Z","title_canon_sha256":"cd3bbd4631aca73d67112680c2fc4ad8065b668bd8ccd7df50699590e56b96a0"},"schema_version":"1.0","source":{"id":"1805.00455","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1805.00455","created_at":"2026-05-17T23:51:44Z"},{"alias_kind":"arxiv_version","alias_value":"1805.00455v1","created_at":"2026-05-17T23:51:44Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1805.00455","created_at":"2026-05-17T23:51:44Z"},{"alias_kind":"pith_short_12","alias_value":"XNIQ4PIUBOGN","created_at":"2026-05-18T12:33:01Z"},{"alias_kind":"pith_short_16","alias_value":"XNIQ4PIUBOGNHVAB","created_at":"2026-05-18T12:33:01Z"},{"alias_kind":"pith_short_8","alias_value":"XNIQ4PIU","created_at":"2026-05-18T12:33:01Z"}],"graph_snapshots":[{"event_id":"sha256:8a152d00c803fb988bfc03d2fdb81f5625ecb1e34bd2aaab13cef2567f881c8d","target":"graph","created_at":"2026-05-17T23:51:44Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"graph_snapshot":{"author_claims":{"count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","strong_count":0},"builder_version":"pith-number-builder-2026-05-17-v1","claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"paper":{"abstract_excerpt":"Band alignment between two materials is of fundamental importance for multitude of applications. However, density functional theory (DFT) either underestimates the bandgap - as is the case with local density approximation (LDA) or generalized gradient approximation (GGA) - or is highly computationally demanding, as is the case with hybrid-functional methods. The latter can become prohibitive in electronic-structure calculations of supercells which describe quantum wells. We propose to apply the DFT$+U$ method, with $U$ for each atomic shell being treated as set of tuning parameters, to automat","authors_text":"Andrew Knyazev, Chungwei Lin, Eiji Nakai, Grigory Kolesov, Hiroyuki Kawahara, Joseph Katz, Keisuke Kojima, Koichi Akiyama","cross_cats":[],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-05-01T17:45:47Z","title":"Band Alignment in Quantum Wells from Automatically Tuned DFT+$U$"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1805.00455","kind":"arxiv","version":1},"verdict":{"created_at":null,"id":null,"model_set":{},"one_line_summary":"","pipeline_version":null,"pith_extraction_headline":"","strongest_claim":"","weakest_assumption":""}},"verdict_id":null}}],"author_attestations":[],"timestamp_anchors":[],"storage_attestations":[],"citation_signatures":[],"replication_records":[],"corrections":[],"mirror_hints":[],"record_created":{"event_id":"sha256:f5ba0a0b7392e1387302ce94fc634394361b36b20c8d545bbca518dc3069ce8f","target":"record","created_at":"2026-05-17T23:51:44Z","signer":{"key_id":"pith-v1-2026-05","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","signer_id":"pith.science","signer_type":"pith_registry"},"payload":{"attestation_state":"computed","canonical_record":{"metadata":{"abstract_canon_sha256":"13e8e86634e34be7eadf2520841dc2aec42b417d0ff6c037bc2125a93a877d4d","cross_cats_sorted":[],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-05-01T17:45:47Z","title_canon_sha256":"cd3bbd4631aca73d67112680c2fc4ad8065b668bd8ccd7df50699590e56b96a0"},"schema_version":"1.0","source":{"id":"1805.00455","kind":"arxiv","version":1}},"canonical_sha256":"bb510e3d140b8cd3d40158af147379416bae7cb2858876a2c93f1bee773fb2cd","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"bb510e3d140b8cd3d40158af147379416bae7cb2858876a2c93f1bee773fb2cd","first_computed_at":"2026-05-17T23:51:44.225422Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-17T23:51:44.225422Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"cR/4n95mk8KmFx+dGP7aBzNZOoKLGAqt1KnPj+b57R44rJ79t71xknYyIAnjSog1JcKGTg0NkXGTSrW4Bx9DBw==","signature_status":"signed_v1","signed_at":"2026-05-17T23:51:44.225964Z","signed_message":"canonical_sha256_bytes"},"source_id":"1805.00455","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:f5ba0a0b7392e1387302ce94fc634394361b36b20c8d545bbca518dc3069ce8f","sha256:8a152d00c803fb988bfc03d2fdb81f5625ecb1e34bd2aaab13cef2567f881c8d"],"state_sha256":"f4b30e7648aa5fbdf8e8307df833f4ad85cd1b9a11b1d9a8cdcc968d63fd0c6a"}