{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2015:7Q6KYSOLIZBTQCRCA32RAI4VCT","short_pith_number":"pith:7Q6KYSOL","schema_version":"1.0","canonical_sha256":"fc3cac49cb4643380a2206f510239514ccfe37acb8c6dbc5e15674f6c1d83e20","source":{"kind":"arxiv","id":"1506.02545","version":2},"attestation_state":"computed","paper":{"title":"Variationally Optimized Free Energy Flooding for Rate Calculation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.stat-mech","authors_text":"James McCarty, Michele Parrinello, Omar Valsson, Pratyush Tiwary","submitted_at":"2015-06-08T15:20:05Z","abstract_excerpt":"We propose a new method to obtain kinetic properties of infrequent events from molecular dynamics simulation. The procedure employs a recently introduced variational approach [Valsson and Parrinello, Phys. Rev. Lett. 113, 090601 (2014)] to construct a bias potential as a function of several collective variables that is designed to flood only the associated free energy surface up to a predefined level. The resulting bias potential effectively accelerates transitions between metastable free energy minima while ensuring bias-free transition states, thus allowing accurate kinetic rates to be obtai"},"verification_status":{"content_addressed":true,"pith_receipt":true,"author_attested":false,"weak_author_claims":0,"strong_author_claims":0,"externally_anchored":false,"storage_verified":false,"citation_signatures":0,"replication_records":0,"graph_snapshot":true,"references_resolved":false,"formal_links_present":false},"canonical_record":{"source":{"id":"1506.02545","kind":"arxiv","version":2},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2015-06-08T15:20:05Z","cross_cats_sorted":[],"title_canon_sha256":"75b4fbfabe51ac1de93443016b7af3eb7a096780bb347ffb1e8feb06fa4407b0","abstract_canon_sha256":"761f67c687f57053029b0d14e5e079cf94cbce0e37a5414255d29c4998939f50"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:35:09.515447Z","signature_b64":"kPAQwpWv/WkuW5qXk8pyDUwfva+nx9Gctj61TvHg54WMI7hrMpYoeThqA7bSJEpySlSmze119uO8/Z+6MfUxDA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"fc3cac49cb4643380a2206f510239514ccfe37acb8c6dbc5e15674f6c1d83e20","last_reissued_at":"2026-05-18T01:35:09.514524Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:35:09.514524Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Variationally Optimized Free Energy Flooding for Rate Calculation","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.stat-mech","authors_text":"James McCarty, Michele Parrinello, Omar Valsson, Pratyush Tiwary","submitted_at":"2015-06-08T15:20:05Z","abstract_excerpt":"We propose a new method to obtain kinetic properties of infrequent events from molecular dynamics simulation. The procedure employs a recently introduced variational approach [Valsson and Parrinello, Phys. Rev. Lett. 113, 090601 (2014)] to construct a bias potential as a function of several collective variables that is designed to flood only the associated free energy surface up to a predefined level. The resulting bias potential effectively accelerates transitions between metastable free energy minima while ensuring bias-free transition states, thus allowing accurate kinetic rates to be obtai"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1506.02545","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"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"},"aliases":[{"alias_kind":"arxiv","alias_value":"1506.02545","created_at":"2026-05-18T01:35:09.514657+00:00"},{"alias_kind":"arxiv_version","alias_value":"1506.02545v2","created_at":"2026-05-18T01:35:09.514657+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1506.02545","created_at":"2026-05-18T01:35:09.514657+00:00"},{"alias_kind":"pith_short_12","alias_value":"7Q6KYSOLIZBT","created_at":"2026-05-18T12:29:10.953037+00:00"},{"alias_kind":"pith_short_16","alias_value":"7Q6KYSOLIZBTQCRC","created_at":"2026-05-18T12:29:10.953037+00:00"},{"alias_kind":"pith_short_8","alias_value":"7Q6KYSOL","created_at":"2026-05-18T12:29:10.953037+00:00"}],"events":[],"event_summary":{},"paper_claims":[],"inbound_citations":{"count":0,"internal_anchor_count":0,"sample":[]},"formal_canon":{"evidence_count":0,"sample":[],"anchors":[]},"links":{"html":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT","json":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT.json","graph_json":"https://pith.science/api/pith-number/7Q6KYSOLIZBTQCRCA32RAI4VCT/graph.json","events_json":"https://pith.science/api/pith-number/7Q6KYSOLIZBTQCRCA32RAI4VCT/events.json","paper":"https://pith.science/paper/7Q6KYSOL"},"agent_actions":{"view_html":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT","download_json":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT.json","view_paper":"https://pith.science/paper/7Q6KYSOL","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1506.02545&json=true","fetch_graph":"https://pith.science/api/pith-number/7Q6KYSOLIZBTQCRCA32RAI4VCT/graph.json","fetch_events":"https://pith.science/api/pith-number/7Q6KYSOLIZBTQCRCA32RAI4VCT/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT/action/timestamp_anchor","attest_storage":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT/action/storage_attestation","attest_author":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT/action/author_attestation","sign_citation":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT/action/citation_signature","submit_replication":"https://pith.science/pith/7Q6KYSOLIZBTQCRCA32RAI4VCT/action/replication_record"}},"created_at":"2026-05-18T01:35:09.514657+00:00","updated_at":"2026-05-18T01:35:09.514657+00:00"}