{"state_type":"pith_open_graph_state","state_version":"1.0","pith_number":"pith:2023:K2LE3FWYTYJCAZK7AL3CN6RC7X","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":"e09ce2b48c1adaba02762deddac98e1c8205439e51ce67043ba69947186bdc03","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-10-10T13:05:33Z","title_canon_sha256":"f52f2433464143445f8b7a4a9faa072ecf9a09f354143b2a6000d002a67c0c93"},"schema_version":"1.0","source":{"id":"2310.06598","kind":"arxiv","version":1}},"source_aliases":[{"alias_kind":"arxiv","alias_value":"2310.06598","created_at":"2026-07-05T06:59:13Z"},{"alias_kind":"arxiv_version","alias_value":"2310.06598v1","created_at":"2026-07-05T06:59:13Z"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.2310.06598","created_at":"2026-07-05T06:59:13Z"},{"alias_kind":"pith_short_12","alias_value":"K2LE3FWYTYJC","created_at":"2026-07-05T06:59:13Z"},{"alias_kind":"pith_short_16","alias_value":"K2LE3FWYTYJCAZK7","created_at":"2026-07-05T06:59:13Z"},{"alias_kind":"pith_short_8","alias_value":"K2LE3FWY","created_at":"2026-07-05T06:59:13Z"}],"graph_snapshots":[{"event_id":"sha256:576616a81ce5ca84db75dac34fc04471f667d623eb2eabd05fb1643475a8b83c","target":"graph","created_at":"2026-07-05T06:59:13Z","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"},"integrity":{"available":true,"clean":true,"detectors_run":[],"endpoint":"/pith/2310.06598/integrity.json","findings":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938","summary":{"advisory":0,"by_detector":{},"critical":0,"informational":0}},"paper":{"abstract_excerpt":"We present a $\\Delta$-machine learning model for obtaining Kohn-Sham accuracy from orbital-free density functional theory (DFT) calculations. In particular, we employ a machine learned force field (MLFF) scheme based on the kernel method to capture the difference between Kohn-Sham and orbital-free DFT energies/forces. We implement this model in the context of on-the-fly molecular dynamics simulations, and study its accuracy, performance, and sensitivity to parameters for representative systems. We find that the formalism not only improves the accuracy of Thomas-Fermi-von Weizs{\\\"a}cker (TFW) o","authors_text":"Andrew J. Medford, John E. Pask, Phanish Suryanarayana, Shashikant Kumar, Xin Jing","cross_cats":["cond-mat.mtrl-sci","physics.comp-ph"],"headline":"","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-10-10T13:05:33Z","title":"Kohn-Sham accuracy from orbital-free density functional theory via $\\Delta$-machine learning"},"references":{"count":0,"internal_anchors":0,"resolved_work":0,"sample":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2310.06598","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":"sha256:1969bb30d78dcb678c5ae8699f7f17318c9b156aa4fed859f69e7af568001ef8","target":"record","created_at":"2026-07-05T06:59:13Z","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":"e09ce2b48c1adaba02762deddac98e1c8205439e51ce67043ba69947186bdc03","cross_cats_sorted":["cond-mat.mtrl-sci","physics.comp-ph"],"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2023-10-10T13:05:33Z","title_canon_sha256":"f52f2433464143445f8b7a4a9faa072ecf9a09f354143b2a6000d002a67c0c93"},"schema_version":"1.0","source":{"id":"2310.06598","kind":"arxiv","version":1}},"canonical_sha256":"56964d96d89e1220655f02f626fa22fdd9c7e84876f9779f111d71dd7de12c7c","receipt":{"algorithm":"ed25519","builder_version":"pith-number-builder-2026-05-17-v1","canonical_sha256":"56964d96d89e1220655f02f626fa22fdd9c7e84876f9779f111d71dd7de12c7c","first_computed_at":"2026-07-05T06:59:13.693058Z","key_id":"pith-v1-2026-05","kind":"pith_receipt","last_reissued_at":"2026-07-05T06:59:13.693058Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54","receipt_version":"0.3","signature_b64":"pfwH/VZgwfJveEjcyS5faaANbLKwVEOOr92liZqLRwBD9mdqnw4LrkSfM7Sa4scJRg+gz2P8MWmOeLVah9MVDQ==","signature_status":"signed_v1","signed_at":"2026-07-05T06:59:13.693545Z","signed_message":"canonical_sha256_bytes"},"source_id":"2310.06598","source_kind":"arxiv","source_version":1}}},"equivocations":[],"invalid_events":[],"applied_event_ids":["sha256:1969bb30d78dcb678c5ae8699f7f17318c9b156aa4fed859f69e7af568001ef8","sha256:576616a81ce5ca84db75dac34fc04471f667d623eb2eabd05fb1643475a8b83c"],"state_sha256":"3ddaf8468a2f52d02c3f2f9f34df73b126b232429a3138deceb6a453427f9e6a"}