{"record_type":"pith_number_record","schema_url":"https://pith.science/schemas/pith-number/v1.json","pith_number":"pith:2009:IXMXIAXL7LBQ2JWMN6QNJBWRTO","short_pith_number":"pith:IXMXIAXL","schema_version":"1.0","canonical_sha256":"45d97402ebfac30d26cc6fa0d486d19b87d6254980991a99b6416e9b821b9e2e","source":{"kind":"arxiv","id":"0912.4526","version":1},"attestation_state":"computed","paper":{"title":"Ionic force field optimization based on single-ion and ion-pair solvation properties","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Immanuel Kalcher, Joachim Dzubiella, Lubos Vrbka, Maria Fyta, Roland R. Netz","submitted_at":"2009-12-22T22:19:47Z","abstract_excerpt":"Molecular dynamics simulations of ionic solutions depend sensitively on the force fields employed for the ions. To resolve the fine differences between ions of the same valence and roughly similar size and in particular to correctly describe ion-specific effects, it is clear that accurate force fields are necessary. In the past, optimization strategies for ionic force fields either considered single-ion properties (such as the solvation free energy at infinite dilution or the ion-water structure) or ion-pair properties (in the form of ion-ion distribution functions). In this paper we investiga"},"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":"0912.4526","kind":"arxiv","version":1},"metadata":{"license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","primary_cat":"physics.chem-ph","submitted_at":"2009-12-22T22:19:47Z","cross_cats_sorted":["physics.comp-ph"],"title_canon_sha256":"f354e9b123a664d430a3fcd1aa42f40427cd5d12a5d90232a8fcdd5e867d1179","abstract_canon_sha256":"848719500aeb9a4574952e703191e917b43beed7bcfc53a4f2912b8c888b93a0"},"schema_version":"1.0"},"receipt":{"kind":"pith_receipt","key_id":"pith-v1-2026-05","algorithm":"ed25519","signed_at":"2026-05-18T02:10:14.442111Z","signature_b64":"LV7JIahuoB0Frmd8rcBXhjMJ6I+ropPiat4wvcNkM3YiHMnT+eHR2oo892+9kuUsFM+oLZJe6zdDflalCLpPDA==","signed_message":"canonical_sha256_bytes","builder_version":"pith-number-builder-2026-05-17-v1","receipt_version":"0.3","canonical_sha256":"45d97402ebfac30d26cc6fa0d486d19b87d6254980991a99b6416e9b821b9e2e","last_reissued_at":"2026-05-18T02:10:14.441478Z","signature_status":"signed_v1","first_computed_at":"2026-05-18T02:10:14.441478Z","public_key_fingerprint":"8d4b5ee74e4693bcd1df2446408b0d54"},"graph_snapshot":{"paper":{"title":"Ionic force field optimization based on single-ion and ion-pair solvation properties","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.comp-ph"],"primary_cat":"physics.chem-ph","authors_text":"Immanuel Kalcher, Joachim Dzubiella, Lubos Vrbka, Maria Fyta, Roland R. Netz","submitted_at":"2009-12-22T22:19:47Z","abstract_excerpt":"Molecular dynamics simulations of ionic solutions depend sensitively on the force fields employed for the ions. To resolve the fine differences between ions of the same valence and roughly similar size and in particular to correctly describe ion-specific effects, it is clear that accurate force fields are necessary. In the past, optimization strategies for ionic force fields either considered single-ion properties (such as the solvation free energy at infinite dilution or the ion-water structure) or ion-pair properties (in the form of ion-ion distribution functions). In this paper we investiga"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"0912.4526","kind":"arxiv","version":1},"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":"0912.4526","created_at":"2026-05-18T02:10:14.441578+00:00"},{"alias_kind":"arxiv_version","alias_value":"0912.4526v1","created_at":"2026-05-18T02:10:14.441578+00:00"},{"alias_kind":"doi","alias_value":"10.48550/arxiv.0912.4526","created_at":"2026-05-18T02:10:14.441578+00:00"},{"alias_kind":"pith_short_12","alias_value":"IXMXIAXL7LBQ","created_at":"2026-05-18T12:26:00.592388+00:00"},{"alias_kind":"pith_short_16","alias_value":"IXMXIAXL7LBQ2JWM","created_at":"2026-05-18T12:26:00.592388+00:00"},{"alias_kind":"pith_short_8","alias_value":"IXMXIAXL","created_at":"2026-05-18T12:26:00.592388+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/IXMXIAXL7LBQ2JWMN6QNJBWRTO","json":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO.json","graph_json":"https://pith.science/api/pith-number/IXMXIAXL7LBQ2JWMN6QNJBWRTO/graph.json","events_json":"https://pith.science/api/pith-number/IXMXIAXL7LBQ2JWMN6QNJBWRTO/events.json","paper":"https://pith.science/paper/IXMXIAXL"},"agent_actions":{"view_html":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO","download_json":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO.json","view_paper":"https://pith.science/paper/IXMXIAXL","resolve_alias":"https://pith.science/api/pith-number/resolve?arxiv=0912.4526&json=true","fetch_graph":"https://pith.science/api/pith-number/IXMXIAXL7LBQ2JWMN6QNJBWRTO/graph.json","fetch_events":"https://pith.science/api/pith-number/IXMXIAXL7LBQ2JWMN6QNJBWRTO/events.json","actions":{"anchor_timestamp":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO/action/timestamp_anchor","attest_storage":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO/action/storage_attestation","attest_author":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO/action/author_attestation","sign_citation":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO/action/citation_signature","submit_replication":"https://pith.science/pith/IXMXIAXL7LBQ2JWMN6QNJBWRTO/action/replication_record"}},"created_at":"2026-05-18T02:10:14.441578+00:00","updated_at":"2026-05-18T02:10:14.441578+00:00"}