materialscloud:2021.213
Published December 6, 2021 | Version v2
Dataset Open

Polymer descriptor data set for machine learning prediction of specific heat

Creators

  • 1. Polaron Analytics, Suite 450, 4031 Colonel Glenn Highway, Beavercreek, OH 45431, USA
  • 2. Air Force Research Laboratory
  • 3. University of Dayton Research Institute

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Description

We have developed a polymer descriptor data set from the existing data. The data set has 188 descriptors which describe polymer atomic and molecular behavior. The descriptors are mapped to the specific heat of polymers using supervised and unsupervised machine learning approaches. The mapping helps predict the specific heat of polymers at room temperature. The descriptor data set is useful in synthesizing novel polymers with desired heat capacities.

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References

Journal reference (The citation will be updated once accepted for publication.)
R. Bhowmik, S. Sihn, R. Pachter, J. P. Vernon, 220, 123558 (2021), doi: 10.1016/j.polymer.2021.123558

Journal reference (The citation will be updated once accepted for publication.)
R. Bhowmik, S. Sihn, R. Pachter, J. P. Vernon, 220, 123558 (2021)