{
  "annotation_id": "e6f8b6a6-a45a-48c4-9fbd-9e28b638ff07",
  "date_created": "2026-03-02T18:00:39.048000Z",
  "date_modified": "2026-03-02T18:00:39.048000Z",
  "file_hash": "b075442fac3707a6e6e86d7de8e489e9291eeb4ecda3f8038deae5343339420c",
  "private": false,
  "record": {
    "abstract": "We present a set of second-order, time-reversible algorithms for the\nisothermal (NVT) molecular-dynamics (MD) simulation of systems with mixed\nhard-core/continuous potentials. The methods are generated by combining\nreal-time Nose\u0027 thermostats with our previously developed Collision Verlet\nalgorithm [Mol. Phys. 98, 309 (1999)] for constant energy MD simulation of such\nsystems. In all we present 5 methods, one based on the Nose\u0027-Hoover [Phys. Rev.\nA 31, 1695 (1985)] equations of motion and four based on the Nose\u0027-Poincare\u0027\n[J.Comp.Phys., 151 114 (1999)] real-time formulation of Nose\u0027 dynamics. The\nmethods are tested using a system of hard spheres with attractive tails and all\ncorrectly reproduce a canonical distribution of instantaneous temperature. The\nNose\u0027-Hoover based method and two of the Nose\u0027-Poincare\u0027 methods are shown to\nhave good energy conservation in long simulations.",
    "arxiv_id": "physics/0204028",
    "authors": [
      "Yao A. Houndonougbo",
      "Brian B. Laird"
    ],
    "categories": [
      "physics.chem-ph",
      "physics.flu-dyn"
    ],
    "doi": "10.1063/1.1485072",
    "title": "Constant-temperature molecular-dynamics algorithms for mixed   hard-core/continuous potentials",
    "url": "https://arxiv.org/abs/physics/0204028"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "09cb606a-1505-4622-846a-f1e54262f7f9",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}