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Efficient Computation of Structural and Electronic Properties of Halide Perovskites Using Density Functional Tight Binding: GFN1-xTB Method.

José Manuel Vicent-LunaSofia ApergiShuxia Tao
Published in: J. Chem. Inf. Model. (2021)
Keyphrases
  • efficient computation
  • computational efficiency
  • similarity measure
  • computationally efficient
  • feature selection
  • objective function
  • principal component analysis
  • dimensionality reduction
  • closed form