Sustainable Catalysis

Sustainable Catalysis

Evolution towards more sustainable production methods via homogeneous catalysis.

Light-driven Synthetic Methodologies

Light-driven Synthetic Methodologies

New methodologies for the conversion of light energy into chemical bonds.

Predictive Chemistry at the Confined Space

Predictive Chemistry at the Confined Space

Supramolecular nanohosts for guest functionalization and reactivity in confined spaces.

Computational Chemistry

Computational Chemistry

New computational approaches to bridge the gap between theory and experiment.


Research carried out at IQCC is organized in several research teams led by either senior or junior scientists. Promising young investigators are given the opportunity to set up their own independent research teams. [More]


IQCC offers the Master in Advanced Catalysis and Molecular Modelling (MACMoM) with the commitment to transfer the most recent research in computational chemistry and catalysis to the future professionals. [More]


IQCC is involved in the organization of national and international conferences, with the participation of major figures in chemistry. The Girona Seminar and the GEQO meeting are the two main events in 2016. [More]


IQCC is commited to raise public awareness of science by actively organizing dissemination and communication activities together with C4D, an offspring of the Institute that fosters innovation in digital science communication. [More]

Recent news

New CAS BioFinder Discovery Platform empowers drug discovery scientists to reveal insights, drive innovation, and save time

Dr. Jordi Mestres has joined the Institute of Computational Chemistry and Catalysis (IQCC) at

PhD defense Míriam Pujals Crusat

This Friday will be the defense of the doctoral thesis of Míriam Pujals

tert-Butyl as a Functional Group: Non-Directed Catalytic Hydroxylation of Sterically Congested Primary C-H Bonds

The tert-butyl group is a common aliphatic motif extensively employed to implement steric

[K2(Bi@Pd12@Bi20)]4–: An Endohedral Inorganic Fullerene with Spherical Aromaticity

Inorganic fullerene clusters have attracted widespread attention due to their highly symmetrical geometric

Funding institutions

    • ERC
    • COST
    • ICREA
    • BSC

    • EUROPA
    • MCIU

    • CSCS
    • HFSP
    • HFSP