The Institute of Computational Chemistry and Catalysis gives the researchers the flexibility to participate in more than one research line, strengthening the synergies and integration between the research topics. There is a continuous collaboration between the experimental and theoretical teams as demonstrated by their record of publications, book chapters, and patents.

The IQCC has published ca. 450 papers in the period 2015-19, which have led to more than 6150 citations on Scopus (Feb. 2020). This includes top (bio)chemical journals like Nature, Nature Catalysis, Nature Chemistry, Nature Communications, Angewandte Chemie, Journal of the American Chemical Society, Accounts of Chemical Research, among others. The scientific production of the IQCC compares favorably with international research institutes. Additionally, during the same 2015-2019 period the institute has established nine collaborations with the private sector, and has organized three highly successful scientific meetings.