The Institute of Computational Chemistry and Catalysis (IQCC) of the University of Girona (UdG) is a worldwide reference unit in computational chemistry and catalysis that aims at carrying out groundbreaking research on predictive chemistry for catalysis, with special focus on the processes occurring at the confined space for the coming years. The unit was created as Institute of Computational Chemistry (IQC) in 1993, and its rules were approved in 1997 by the Senate of the UdG. In 2012, the IQC was joined by two experimental research groups, the Bioinorganic and Supramolecular Chemistry (QBIS) and Transition Metals in Organic Synthesis (METSO) groups, and changed its name to IQCC (approved by UdG Senate in February 2013). This was motivated by a previous history of collaborations and synergies between the three research groups. With this transformation, the IQCC wants to face the new challenges in research and adapt to the new research frame at the Catalan, Spanish, and European levels.