Institute of Chemical Research of Catalonia (ICIQ)

Founded in 2000 by the Government of Catalonia, the Institute of Chemical Research of Catalonia (ICIQ) started its research activities in 2004.

ICIQ is committed to performing excellent research at the frontier of knowledge in two main areas: Catalysis and Renewable Energy. The institute also has two other commitments: knowledge and technology transfer to the chemical, pharmaceutical and energy industrial sectors and that of training the future generation of scientists by offering high-quality educational programmes to master and PhD students as well as postdoctoral researchers.

Our mission is to lead, from the vantage point of molecular science, cross-strategies for solving major social and economic challenges, such as climate change and sustainable supply of energetic and raw materials, thereby contributing to the establishment of a knowledge-based economy and improving quality of life for all.

ICIQ digitalization plan

Since the creation of the ioChem-BD platform in 2013, ICIQ has been compromised with the digitalization of its research.

ioChem-BD platform

First, ioChem-BD started its development in 2013 and had its second major release in 2020.

The ioChem-BD software platform is a suite of web services oriented to manage the entire life-cycle of Computational Chemistry and Material Science digital files.

Please consider reading these papers regarding ioChem-BD platform and other related topics:

Álvarez-Moreno, M., de Graaf, C., López, N., Maseras, F., Poblet, J. M., Bo, C. Managing the Computational Chemistry Big Data Problem: The ioChem-BD Platform. J. Chem. Inf. Model, 55, 1, 95-103 (2015). https://doi.org/10.1021/ci500593j

Bo, C., Maseras, F. & López, N. The role of computational results databases in accelerating the discovery of catalysts. Nat Catal 1, 809–810 (2018). https://doi.org/10.1038/s41929-018-0176-4

eChempad platform

Then, since 2021 another platform is currently under development: The eChempad platform.

eChempad is a web application oriented to manage the entire data life-cycle of experiments and assays from Experimental Chemistry and related Science disciplines.

The eChempad platform appears as an answer to the digitization needs of experimental chemists at Institut Català d’Investigació Química (ICIQ). This platform intends to be an analogous example of the successful platform for Computational Chemistry developed at ICIQ, ioChem-BD.

Currently, the eChempad platform allows researchers to extract experimentation data from the PerkinElmer Signals Notebook in bulk, enrich them with metadata, and finally publish them into CORA RDR a Dataverse instance maintained by the Consorci de Serveis Universitaris de Catalunya (CSUC).