Computational BioNanoCat

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    Edifici C

    08193 Bellaterra (Cerdanyola del Vallès)


Organisation profile

Organisation profile

In the 21st century catalysis has started a new era in which the borders between the classical catalysis areas (homogeneous, heterogeneous, biocatalysis) have swept away. Nanocatalysis has erased the limits between homogeneous and heterogeneous catalysis, and artificial metalloenzymes, built up by introducing a catalytic organometallic cofactor into a biomolecular scaffold, have been designed to catalyze reactions not present in Nature. Moreover, non-covalent interactions are used for building and modifying homogenous catalysts, giving rise to supramolecular catalysis. Even the field of homogenous catalysis is rapidly changing, with a strong accent in developing efficient catalysts with biocompatible first-row transition metals.

Computational simulations have become a useful and powerful methodology in each of the three conventional catalysis’ fields. However, cutting edge computational research in catalysis demands integrative approaches, able to deal with the multifaceted nature of its problems.

The objectives of Computational BioNanoCat group for the next years include methodological developments, and the application of such developments to four cutting edge areas (nanocatalysis, artificial metalloenzymes, supramolecular catalysis and new pathways in homogeneous catalysis).

UN Sustainable Development Goals

In 2015, UN member states agreed to 17 global Sustainable Development Goals (SDGs) to end poverty, protect the planet and ensure prosperity for all. Our work contributes towards the following SDG(s):

  • SDG 3 - Good Health and Well-being
  • SDG 7 - Affordable and Clean Energy
  • SDG 12 - Responsible Consumption and Production
  • SDG 14 - Life Below Water


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Collaborations and top research areas from the last five years

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