Search Results for author: Daniel T. Speckhard

Found 3 papers, 1 papers with code

Band-gap regression with architecture-optimized message-passing neural networks

1 code implementation12 Sep 2023 Tim Bechtel, Daniel T. Speckhard, Jonathan Godwin, Claudia Draxl

The domain of applicability of the ensemble model is analyzed with respect to the crystal systems, the inclusion of a Hubbard parameter in the density functional calculations, and the atomic species building up the materials.

Band Gap band gap regression +3

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