{
  "abstract": "The DFT-D3 dispersion correction is routinely added to machine learning force fields (MLFFs) trained on dispersion-deficient functionals such as PBE. Its environment-dependent pair coefficients, however, break the atom-centered separability that fast summation methods require, forcing practitioners either to truncate D3 or to accept a substantial slowdown. We introduce FourierD3, a method that uses a functional low-rank decomposition to restore this separability and enable particle-mesh evaluation in $O(N\\log N)$ time without a real-space cutoff on the dispersion sum.",
  "abstract_shown": true,
  "affiliations": [],
  "article_type": null,
  "arxiv": "2607.15103",
  "author_total": 7,
  "authors": [
    {
      "name": "Victoria Valeeva"
    },
    {
      "name": "Cheuk Hin Ho"
    },
    {
      "name": "Mario Geiger"
    },
    {
      "name": "Franco Pellegrini"
    },
    {
      "name": "Gábor Csányi"
    },
    {
      "name": "Emine Kucukbenli"
    },
    {
      "name": "Christoph Ortner"
    }
  ],
  "bibtex": "https://research.draconitic.com/paper/2748qtg1dktse.bib",
  "cited_by": 0,
  "doi": "10.48550/arxiv.2607.15103",
  "fulltext_url": null,
  "id": "2748qtg1dktse",
  "issns": [],
  "landing_url": "https://arxiv.org/abs/2607.15103",
  "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.comp-ph"
    ],
    [
      "openalex",
      "3107|Advanced Chemical Physics Studies"
    ]
  ],
  "openalex": "W7169562660",
  "pdf_url": "https://arxiv.org/pdf/2607.15103",
  "pmcid": null,
  "pmid": null,
  "published": "2026-10-18",
  "publisher": null,
  "ris": "https://research.draconitic.com/paper/2748qtg1dktse.ris",
  "sources": [
    {
      "first_seen": "2026-10-30T12:30:52Z",
      "native_id": "2607.15103",
      "source": "arxiv",
      "url": "https://arxiv.org/abs/2607.15103"
    }
  ],
  "subjects": [
    {
      "field": "physics",
      "origin": "arxiv:physics.comp-ph",
      "subfield": "computational"
    }
  ],
  "title": "A fast summation method for the DFT-D3 dispersion correction",
  "title_text": "A fast summation method for the DFT-D3 dispersion correction",
  "type": "preprint",
  "updated_at": "2026-10-30T12:33:41Z",
  "url": "https://research.draconitic.com/paper/2748qtg1dktse",
  "venue": "arXiv",
  "versions": []
}