Dataset Open Access

Inverting the Kohn-Sham equations with physics-informed machine learning

Martinetto, Vincent; Shah, Karan; Cangi, Attila; Pribram-Jones, Aurora


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{
  "title": "Inverting the Kohn-Sham equations with physics-informed machine learning", 
  "DOI": "10.14278/rodare.2720", 
  "author": [
    {
      "family": "Martinetto, Vincent"
    }, 
    {
      "family": "Shah, Karan"
    }, 
    {
      "family": "Cangi, Attila"
    }, 
    {
      "family": "Pribram-Jones, Aurora"
    }
  ], 
  "abstract": "<p>This data repository contains the datasets used in the paper &quot;Inverting the Kohn-Sham equations with physics-informed machine learning&quot;.&nbsp;</p>\n\n<p>It contains the data generation scripts, datasets for the systems used in the paper (Single Well - 1D atom, Double Well - 1D diatomic molecule) and output potentials&nbsp;generated by the physics-informed machine learning models (physics-informed neural networks and Fourier neural operators).</p>", 
  "publisher": "Rodare", 
  "id": "2720", 
  "issued": {
    "date-parts": [
      [
        2024, 
        2, 
        1
      ]
    ]
  }, 
  "type": "dataset"
}
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