UiO Computational Catalysis Group

UiO Computational Catalysis Group

  • Open Positions
  • Members▶
    Members▶
    • Ainara Nova
    • David Balcells
    • Abril Castro
    • Odile Eisenstein
    • Raquel Jimenez
    • Hannes Kneiding
    • Ning Cao
    • Inga Schmidtke
    • Mohamed Safy
    • Alberto Guerrero
    • Aurore Denjean
    • Arron Burnage
    • Nishamol Kuriakose
    • Trond Linjordet
    • Lucia Moran
    • Michael Augello
    • Flavie Le Rai
    • Hanne Jee Eriksen
    • Lucas Theodoroviez
    • Miguel A. G. Fernandez
  • Visitors
  • Alumni
  • Research
  • Publications▶
    Publications▶
    • Since 2020
    • 2013 - 2019
    • Before Oslo
  • Datasets▶
    Datasets▶
    • tmQM dataset
    • tmQMg graph dataset
    • tmQMg-L ligand library
  • Codes▶
    Codes▶
    • HyDGL
    • PL-MOGA
  • Group Pictures
  • GitHub

State-of-the-Art Computational Catalysis with DFT, AIMD, and Machine Learning

Bridging the Hylleraas Centre for Quantum Molecular Sciences with the Catalysis Group

at the Chemistry Department of the University of Oslo

Led by PIs Ainara Nova, David Balcells, and Abril Castro

 

© D. Balcells, except where noted.
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  • Open Positions
  • | Members ▲
    Members ▲
    • Ainara Nova
    • David Balcells
    • Abril Castro
    • Odile Eisenstein
    • Raquel Jimenez
    • Hannes Kneiding
    • Ning Cao
    • Inga Schmidtke
    • Mohamed Safy
    • Alberto Guerrero
    • Aurore Denjean
    • Arron Burnage
    • Nishamol Kuriakose
    • Trond Linjordet
    • Lucia Moran
    • Michael Augello
    • Flavie Le Rai
    • Hanne Jee Eriksen
    • Lucas Theodoroviez
    • Miguel A. G. Fernandez
  • | Visitors
  • | Alumni
  • | Research
  • | Publications ▲
    Publications ▲
    • Since 2020
    • 2013 - 2019
    • Before Oslo
  • | Datasets ▲
    Datasets ▲
    • tmQM dataset
    • tmQMg graph dataset
    • tmQMg-L ligand library
  • | Codes ▲
    Codes ▲
    • HyDGL
    • PL-MOGA
  • | Group Pictures
  • | GitHub
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