Dataset Open Access

Data publication: Accelerated free energy estimation in ab initio path integral Monte Carlo simulations

Svensson, Pontus; Kalkavouras, Fotios; Hernandez Acosta, Uwe; Moldabekov, Zhandos; Tolias, Panagiotis; Vorberger, Jan; Dornheim, Tobias


JSON-LD (schema.org) Export

{
  "keywords": [
    "Free energy", 
    "PIMC", 
    "Warm dense matter", 
    "Uniform electron gas"
  ], 
  "inLanguage": {
    "name": "English", 
    "alternateName": "eng", 
    "@type": "Language"
  }, 
  "identifier": "https://doi.org/10.14278/rodare.4598", 
  "sameAs": [
    "https://www.hzdr.de/publications/Publ-43236"
  ], 
  "distribution": [
    {
      "fileFormat": "txt", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/Fig2.txt", 
      "@type": "DataDownload"
    }, 
    {
      "fileFormat": "txt", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/Fig3.txt", 
      "@type": "DataDownload"
    }, 
    {
      "fileFormat": "txt", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/Fig4.txt", 
      "@type": "DataDownload"
    }, 
    {
      "fileFormat": "txt", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/FigS1.txt", 
      "@type": "DataDownload"
    }, 
    {
      "fileFormat": "txt", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/FigS2.txt", 
      "@type": "DataDownload"
    }, 
    {
      "fileFormat": "txt", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/FigS3.txt", 
      "@type": "DataDownload"
    }, 
    {
      "fileFormat": "txt", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/FigS4.txt", 
      "@type": "DataDownload"
    }, 
    {
      "fileFormat": "", 
      "contentUrl": "https://rodare.hzdr.de/api/files/a148855c-efc6-4b2d-94c7-3411540625bd/README", 
      "@type": "DataDownload"
    }
  ], 
  "name": "Data publication: Accelerated free energy estimation in ab initio path integral Monte Carlo simulations", 
  "@id": "https://doi.org/10.14278/rodare.4598", 
  "description": "<p>This repository contains the PIMC data for the publication &quot;Accelerated free energy estimation in ab initio path integral Monte Carlo simulations&quot;.</p>", 
  "creator": [
    {
      "name": "Svensson, Pontus", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0002-7013-208X"
    }, 
    {
      "name": "Kalkavouras, Fotios", 
      "affiliation": "KTH Stockholm", 
      "@type": "Person"
    }, 
    {
      "name": "Hernandez Acosta, Uwe", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0002-6182-1481"
    }, 
    {
      "name": "Moldabekov, Zhandos", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0002-9725-9208"
    }, 
    {
      "name": "Tolias, Panagiotis", 
      "affiliation": "KTH Stockholm", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0001-9632-8104"
    }, 
    {
      "name": "Vorberger, Jan", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0001-5926-9192"
    }, 
    {
      "name": "Dornheim, Tobias", 
      "affiliation": "HZDR", 
      "@type": "Person", 
      "@id": "https://orcid.org/0000-0001-7293-6615"
    }
  ], 
  "datePublished": "2026-04-09", 
  "license": "https://creativecommons.org/licenses/by/4.0/legalcode", 
  "@context": "https://schema.org/", 
  "@type": "Dataset", 
  "url": "https://rodare.hzdr.de/record/4598"
}
42
36
views
downloads
All versions This version
Views 4242
Downloads 3636
Data volume 290.6 kB290.6 kB
Unique views 3636
Unique downloads 3434

Share

Cite as