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Dataset for: Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data
Dataset   Open access

Dataset for: Electronic specific heat capacities and entropies from density matrix quantum Monte Carlo using Gaussian process regression to find gradients of noisy data

William Z Van Benschoten, Laura Weiler, Gabriel J Smith, Songhang Man, Taylor DeMello and James J Shepherd
University of Iowa
12/16/2024
DOI: 10.25820/data.006428
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Readme7.40 kBDownloadView
READMEDataset information: creators, funding sources, abstract, file information, methods.Open Data Commons Attribution (ODC-By) V1.0 Open Access
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DataDictionary_VanBenschoten202316.19 kBDownloadView
Data DictionaryA table listing the data elements/variable names/column headings, with descriptions, alternate names, data types, character lengths, acceptable values, and whether or not values are required and if nulls are accepted entries.Open Data Commons Attribution (ODC-By) V1.0 Open Access
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DataStructure_VanBenschoten202353.44 kBDownloadView
File list and directory structure (for zipped files) with brief descriptions of all data files.Open Data Commons Attribution (ODC-By) V1.0 Open Access
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Link to Globus for downloading the data filesView
Data files and documentation are accessible via this link to Globus. Download from Globus via web browser or Globus app.Open Data Commons Attribution (ODC-By) V1.0

Abstract

Gaussian process regression Heat entropies Molecular benchmarks Noisy data Monte Carlo data

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