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Canonical sampling through velocity rescaling

The Journal of Chemical Physics(2007)10.1063/1.2408420Source: DataRank Database

Canonical sampling through velocity rescaling is a research paper published in The Journal of Chemical Physics (2007). On theSindex it has a DataRank of 1.5. It has been cited 17,962 times.

N/A
1.5DataRank · unranked
1.5
Open Access17962 citations · base score 9.8
Cite:
datarank_citation_only_1hop_v6· scope data_onlyMethodology

Abstract

The authors present a new molecular dynamics algorithm for sampling the canonical distribution. In this approach the velocities of all the particles are rescaled by a properly chosen random factor. The algorithm is formally justified and it is shown that, in spite of its stochastic nature, a quantity can still be defined that remains constant during the evolution. In numerical applications this quantity can be used to measure the accuracy of the sampling. The authors illustrate the properties of this new method on Lennard-Jones and TIP4P water models in the solid and liquid phases. Its performance is excellent and largely independent of the thermostat parameter also with regard to the dynamic properties.

Data sources & pipeline
Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring
Enrichment:Pending

FAIR Checklist

Context only (not used in score)
Findable (1/2)
  • Has DOI
Accessible (1/2)
  • Open Access
Interoperable (0/2)
    Reusable (0/3)

      FAIR checklist signals are shown for context only and do not affect DataRank scoring.

      DataRank Breakdown

      Base Score 100%Citation Network 0%

      Base Score Contribution

      1.5

      From this paper's citation signal

      Citation Network Contribution

      0

      Citation network not refreshed for this result

      This paper's DataRank is currently driven only by its base citation score. Citation network data was not refreshed for this result.

      Learn more about DataRank methodology →
      Why this DataRank?

      DataRank blends this paper's own citation count with the influence of the papers that cite it. Here, roughly 100% comes from its base citations and 0% from the citation network.

      Base score B(p)
      log1p(citation_count) — grows sub-linearly, so a paper with 1,000 citations is not 10× a paper with 100.
      Network N(p)
      Σ over citers of log1p(Cq) ÷ max(outdegreeq, 1). Being cited by a highly-cited paper with few references counts most.
      Damping factor d = 0.85
      DataRank = (1−d)·B(p) + d·N(p) — the two cards above are each already multiplied by their share.
      Self-citations excluded
      Citers sharing any OpenAlex author ID with this paper are filtered out before the network sum.

      Citers are pulled from OpenAlex sorted by cited_by_count:descand capped per paper, so when the cap binds we keep the highest-signal references and the score is reproducible across reruns.

      Read the full methodology →

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