Nature Communications (Feb 2022)

Representing individual electronic states for machine learning GW band structures of 2D materials

  • Nikolaj Rørbæk Knøsgaard,
  • Kristian Sommer Thygesen

DOI
https://doi.org/10.1038/s41467-022-28122-0
Journal volume & issue
Vol. 13, no. 1
pp. 1 – 10

Abstract

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The study introduces novel methods for representing electronic states as input to machine learning models, which is used to learn high-fidelity band structures of two-dimensional materials from low- fidelity input.