{
  "abstract": "We utilize the Mori-Zwanzig memory kernel to separate the density of states of a liquid into gas, cage, and harmonic-solid components. The cage entropy is computed self-consistently as the non-Markovian excess of the full velocity response over its Markovian counterpart, and is assigned an excluded-volume entropy reference rather than a harmonic one. Employing physically motivated constraints, the resulting Three-Phase Explicit Anharmonic Thermodynamics (3PT) method reproduces thermodynamic-integration entropies of liquid metals and aligns two water models with independent free-energy perturbation benchmarks. For monoatomic Lennard-Jones liquids, 3PT's accuracy follows a universal efficiency curve governed by the kernel's non-Markovianity. We thus establish a direct, trajectory-level mapping between memory, transient cage dynamics, and liquid entropy.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2607.29026",
  "author_total": 3,
  "authors": [
    {
      "name": "Ricardo Buarque"
    },
    {
      "name": "Mauro Gascon"
    },
    {
      "name": "Tod A. Pascal"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/1sa1v9jm9x540.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2607.29026",
  "fulltext_url": null,
  "id": "1sa1v9jm9x540",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2607.29026",
  "language": null,
  "licence": "CC-BY-4.0",
  "licence_label": "CC BY 4.0",
  "licence_source": "article",
  "licence_url": "http://creativecommons.org/licenses/by/4.0/",
  "metadata_licence": "CC0-1.0",
  "native_subjects": [
    [
      "arxiv",
      "physics.chem-ph"
    ],
    [
      "openalex",
      "1606|Advanced Physical and Chemical Molecular Interactions"
    ]
  ],
  "openalex": "W7172345459",
  "pdf_url": "https://arxiv.org/pdf/2607.29026",
  "pmcid": null,
  "pmid": null,
  "published": "2026-08-31",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/1sa1v9jm9x540.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:17:41Z",
      "native_id": "2607.29026",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2607.29026"
    }
  ],
  "subjects": [
    {
      "field": "chemistry",
      "origin": "arxiv:physics.chem-ph",
      "subfield": "physical"
    }
  ],
  "title": "An anharmonic liquid-entropy functional from the Mori-Zwanzig memory kernel",
  "title_text": "An anharmonic liquid-entropy functional from the Mori-Zwanzig memory kernel",
  "type": "preprint",
  "updated_at": "2026-10-30T12:17:41Z",
  "url": "https://research.draconitic.com/paper/1sa1v9jm9x540",
  "venue": "arXiv",
  "versions": []
}