{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2012:N7M3LQTP32BIHLIF2IPAPHJUIU","short_pith_number":"pith:N7M3LQTP","schema_version":"1.0","canonical_sha256":"6fd9b5c26fde8283ad05d21e079d34452241f09c607156c60f3c74b58fd56279","source":{"kind":"arxiv","id":"1212.0931","version":3},"attestation_state":"computed","paper":{"title":"Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.stat-mech","authors_text":"Eric Vanden-Eijnden, Jianfeng Lu","submitted_at":"2012-12-05T04:15:40Z","abstract_excerpt":"Replica exchange molecular dynamics (REMD) becomes more efficient as the frequency of swap between the temperatures is increased. Recently in [Plattner et al, J. Chem. Phys. 135, 134111 (2011)] a method was proposed to implement infinite swapping REMD in practice. Here we show that this method naturally leads to a reformulation in terms of molecular dynamics simulations over a mixture potential, which is both simple to implement in practice and provides a better, energy based understanding of how to choose the temperatures in REMD to optimize efficiency. It also opens the door to generalizatio"},"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":"1212.0931","kind":"arxiv","version":3},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"cond-mat.stat-mech","submitted_at":"2012-12-05T04:15:40Z","cross_cats_sorted":[],"title_canon_sha256":"2df7a5b9d68f6fa43be2c6de2a3f4cfb812d77e1192f1834a049c013786868f7","abstract_canon_sha256":"4dc20baf4700743a8a3077c9c948a88e03441dd8ca757176d0bd67d351937326"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T01:52:47.594864Z","signature_b64":"bYXcuIeGq9hfpLw5xLAuMfAMs+K5xgB0vxX+JPOfPk7RuGm0Hqv3gX6Gdu/Ud7YhiLe3jPJz/027TZTswJiOAw==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"6fd9b5c26fde8283ad05d21e079d34452241f09c607156c60f3c74b58fd56279","last_reissued_at":"2026-05-18T01:52:47.594433Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T01:52:47.594433Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Infinite swapping replica exchange molecular dynamics leads to a simple simulation patch using mixture potentials","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.stat-mech","authors_text":"Eric Vanden-Eijnden, Jianfeng Lu","submitted_at":"2012-12-05T04:15:40Z","abstract_excerpt":"Replica exchange molecular dynamics (REMD) becomes more efficient as the frequency of swap between the temperatures is increased. Recently in [Plattner et al, J. Chem. Phys. 135, 134111 (2011)] a method was proposed to implement infinite swapping REMD in practice. Here we show that this method naturally leads to a reformulation in terms of molecular dynamics simulations over a mixture potential, which is both simple to implement in practice and provides a better, energy based understanding of how to choose the temperatures in REMD to optimize efficiency. It also opens the door to generalizatio"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1212.0931","kind":"arxiv","version":3},"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":"1212.0931","created_at":"2026-05-18T01:52:47.594492+00:00"},{"alias_kind":"arxiv_version","alias_value":"1212.0931v3","created_at":"2026-05-18T01:52:47.594492+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.1212.0931","created_at":"2026-05-18T01:52:47.594492+00:00"},{"alias_kind":"pith_short_12","alias_value":"N7M3LQTP32BI","created_at":"2026-05-18T12:27:16.716162+00:00"},{"alias_kind":"pith_short_16","alias_value":"N7M3LQTP32BIHLIF","created_at":"2026-05-18T12:27:16.716162+00:00"},{"alias_kind":"pith_short_8","alias_value":"N7M3LQTP","created_at":"2026-05-18T12:27:16.716162+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/N7M3LQTP32BIHLIF2IPAPHJUIU","json":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU.json","graph_json":"https://pith.science/api/pith-number/N7M3LQTP32BIHLIF2IPAPHJUIU/graph.json","events_json":"https://pith.science/api/pith-number/N7M3LQTP32BIHLIF2IPAPHJUIU/events.json","paper":"https://pith.science/paper/N7M3LQTP"},"agent_actions":{"view_html":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU","download_json":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU.json","view_paper":"https://pith.science/paper/N7M3LQTP","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=1212.0931&json=true","fetch_graph":"https://pith.science/api/pith-number/N7M3LQTP32BIHLIF2IPAPHJUIU/graph.json","fetch_events":"https://pith.science/api/pith-number/N7M3LQTP32BIHLIF2IPAPHJUIU/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU/action/timestamp_anchor","attest_storage":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU/action/storage_attestation","attest_author":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU/action/author_attestation","sign_citation":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU/action/citation_signature","submit_replication":"https://pith.science/pith/N7M3LQTP32BIHLIF2IPAPHJUIU/action/replication_record"}},"created_at":"2026-05-18T01:52:47.594492+00:00","updated_at":"2026-05-18T01:52:47.594492+00:00"}