February 1, 2024 Dataset Open Access

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

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    "description": "<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>", 
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        "affiliation": "Department of Chemistry and Biochemistry, University of California Merced, 5200 North Lake Rd., Merced, California 95343, USA", 
        "name": "Martinetto, Vincent", 
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        "affiliation": "Center for Advanced Systems Understanding, 02826 G\u00f6rlitz, Germany/Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstra\u00dfe 400, 01328 Dresden", 
        "name": "Shah, Karan", 
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        "affiliation": "Center for Advanced Systems Understanding, 02826 G\u00f6rlitz, Germany/Helmholtz-Zentrum Dresden-Rossendorf, Bautzner Landstra\u00dfe 400, 01328 Dresden", 
        "name": "Cangi, Attila", 
        "orcid": "0000-0001-9162-262X"
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      {
        "affiliation": "Department of Chemistry and Biochemistry, University of California Merced, 5200 North Lake Rd., Merced, California 95343, USA", 
        "name": "Pribram-Jones, Aurora", 
        "orcid": "0000-0003-0244-1814"
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    "publication_date": "2024-02-01", 
    "title": "Inverting the Kohn-Sham equations with physics-informed machine learning", 
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