{
  "annotation_id": "78033ebc-8573-4f40-b19a-845043316922",
  "date_created": "2026-03-02T18:01:17.964000Z",
  "date_modified": "2026-03-02T18:01:17.964000Z",
  "file_hash": "6eafe2c94dbd47d5ba3cdd8237c27a4f72efe1b8ef3e8f61ca64b10303107765",
  "private": false,
  "record": {
    "abstract": "An algorithm for fast calculation of the Coulombic forces and energies of\npoint particles with free boundary conditions is proposed. Its calculation time\nscales as N log N for N particles. This novel method has lower crossover point\nwith the full O(N^2) direct summation than the Fast Multipole Method. The\nforces obtained by our algorithm are analytical derivatives of the energy which\nguarantees energy conservation during a molecular dynamics simulation. Our\nalgorithm is very simple. An MPI parallelised version of the code can be\ndownloaded under the GNU General Public License from the website of our group.",
    "arxiv_id": "physics/0702213",
    "authors": [
      "Alexey Neelov",
      "S. Alireza Ghasemi",
      "Stefan Goedecker"
    ],
    "categories": [
      "physics.comp-ph"
    ],
    "doi": "10.1063/1.2746328",
    "title": "Particle-Particle, Particle-Scaling function (P3S) algorithm for   electrostatic problems in free boundary conditions",
    "url": "https://arxiv.org/abs/physics/0702213"
  },
  "schema_id": "dorsal/arxiv",
  "source": {
    "execution_id": "7fc821b5-3fa7-4caa-8e77-a0fb3ae9cf2c",
    "id": "arXiv Dataset IDs",
    "type": "Model",
    "variant": "snapshot-2026-03-01",
    "version": "0.1.0"
  },
  "user_id": 1000002
}