{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2018:EMEKVKBPG5H6OKR7MU6GVDKG6K","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":"6513aab6c006f19b808e5888c819d39d072d2ac7df7e48778754f15900121947","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-04-08T22:27:26Z","title_canon_sha256":"afd39452d49507a261d1faeb49393a8746378c795323218f74202e1875527fdb"},"schema_version":"1.0","source":{"id":"1804.02766","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"1804.02766","created_at":"2026-05-18T00:06:04Z"},{"alias_kind":"arxiv_version","alias_value":"1804.02766v1","created_at":"2026-05-18T00:06:04Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1804.02766","created_at":"2026-05-18T00:06:04Z"},{"alias_kind":"pith_short_12","alias_value":"EMEKVKBPG5H6","created_at":"2026-05-18T12:32:22Z"},{"alias_kind":"pith_short_16","alias_value":"EMEKVKBPG5H6OKR7","created_at":"2026-05-18T12:32:22Z"},{"alias_kind":"pith_short_8","alias_value":"EMEKVKBP","created_at":"2026-05-18T12:32:22Z"}],"graph_snapshots":[{"event_id":"sha256:166f4ddf59b8e146d9d642ed614f221d755c33d693d39bf5052ae9646cdf7204","target":"graph","created_at":"2026-05-18T00:06:04Z","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":"Density functional theory calculations can be used to identify dominant reaction mechanisms. However, the dominant reaction mechanism is sensitive to choice of the exchange correlation functional. Here, we demonstrate using the example case of chlorine evolution reaction on rutile oxides, which can occur through at least three reaction mechanisms each mediated by different surface intermediates and active sites. We utilize Bayesian error estimation capabilities within the BEEF-vdW exchange correlation (XC) functional to quantify the uncertainty associated with predictions of the operative reac","authors_text":"Dilip Krishnamurthy, Vaidish Sumaria, Venkatasubramanian Viswanathan","cross_cats":["physics.chem-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-04-08T22:27:26Z","title":"Quantifying Confidence in DFT Predicted Surface Pourbaix Diagrams and Associated Reaction Pathways for Chlorine Evolution"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1804.02766","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":"sha256:90d8378798f9755a207e526ac53034354a8961bb30137f2be1c4d67b957dfef8","target":"record","created_at":"2026-05-18T00:06:04Z","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":"6513aab6c006f19b808e5888c819d39d072d2ac7df7e48778754f15900121947","cross_cats_sorted":["physics.chem-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.mtrl-sci","submitted_at":"2018-04-08T22:27:26Z","title_canon_sha256":"afd39452d49507a261d1faeb49393a8746378c795323218f74202e1875527fdb"},"schema_version":"1.0","source":{"id":"1804.02766","kind":"arxiv","version":1}},"canonical_sha256":"2308aaa82f374fe72a3f653c6a8d46f28f1b54d163892ad2f944a0b0297a8509","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"2308aaa82f374fe72a3f653c6a8d46f28f1b54d163892ad2f944a0b0297a8509","first_computed_at":"2026-05-18T00:06:04.520391Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-05-18T00:06:04.520391Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"BMl84r7aOZ7Be0H2pjhmlHkLr6DwL1ShWl8sbq7gBADkj5yNV0UoFQm0yat8vUbd+kK5PrC6gIQYY/hx7YNbAw==","signature_status":"signed_v1","signed_at":"2026-05-18T00:06:04.520886Z","signed_message":"canonical_sha256_bytes"},"source_id":"1804.02766","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:90d8378798f9755a207e526ac53034354a8961bb30137f2be1c4d67b957dfef8","sha256:166f4ddf59b8e146d9d642ed614f221d755c33d693d39bf5052ae9646cdf7204"],"state_sha256":"a4cc44e80829bf10816df087c5b8ab051aeafefa2999e271e4af2199b4ae9716"}