Updates to the DScribe library : New descriptors and derivatives

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• Finished

  VILMA: Virtual laboratory for molecular level atmospheric transformations

  Rinke, P. (Principal investigator)

  01/01/2022 → 31/12/2024

  Project: Academy of Finland: Other research funding

  • Active Learning 100%
  • Optimization 58%
  • Organic Molecule 50%
  • Metal 50%
  • Conformational Isomer 50%

• NOMAD CoE: Novel Materials Discovery

  Rinke, P. (Principal investigator)

  01/10/2020 → 30/09/2023

  Project: EU: Framework programmes funding

  • Electronic State 100%
  • Quasiparticle 100%
  • Density Functional Theory 81%
  • Core Level 75%
  • Binding Energy 75%

• LEARNSOLAR: Rinke-LearnSolar

  Rinke, P. (Principal investigator)

  01/09/2020 → 31/08/2024

  Project: Academy of Finland: Other research funding

  • Machine Learning 100%
  • Density 97%
  • Material 70%
  • Perovskites 50%
  • Density Functional Theory 46%