Reactivity of Amorphous Carbon Surfaces: Rationalizing the Role of Structural Motifs in Functionalization Using Machine Learning

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• Finished

  Accurate computational electrochemistry from density functional theory and multiscale

  Caro Bayo, M.

  01/09/2017 → 31/08/2020

  Project: Academy of Finland: Other research funding

  • Density Functional Theory 100%
  • Density 90%
  • Carbon 73%
  • Machine Learning 71%
  • Material 69%

• FIRE: First-principles Electrochemistry (FIRE)

  Laurila, T., Aarva, A., Leppänen, E., Isoaho, N., Johansson, L., Ahmed, R., Caro Bayo, M. & Palomäki, T.

  01/09/2015 → 31/08/2018

  Project: Academy of Finland: Other research funding

  • Carbon 100%
  • Density 99%
  • Material 93%
  • Amorphous Material 87%
  • Density Functional Theory 75%