Published October 13, 2022 | Version v1
Journal article Open

A data-science approach to predict the heat capacity of nanoporous materials

  • 1. Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany
  • 2. Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland
  • 3. Laboratory of Molecular Simulation, Institut des Sciences et Ingénierie Chimiques, École Polytechnique Fédérale de Lausanne (EPFL), Sion, Switzerland Department of Chemical Engineering & Biotechnology, University of Cambridge, Cambridge, UK
  • 4. The Research Centre for Carbon Solutions (RCCS), School of Engineering and Physical Sciences, Heriot-Watt University, Edinburgh, United Kingdom
  • 5. Department of Chemical Engineering, School of Engineering, The University of Manchester, Manchester, United Kingdom
  • 6. Department of Mathematics and Computer Science, Freie Universität Berlin, Berlin, Germany Department of Physics, Freie Universität Berlin, Berlin, Germany Department of Chemistry, Rice University, Houston, TX, USA Microsoft Research, Cambridge, UK

Description

Data that were used and are needed to reproduce the results of this study, the thermogravimetric analysis, the synthesis protocols, and the powder X-ray diffraction, exported from electronic lab notebooks.

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