Big Data for Catalysis

Project Information

BigData4Cat

Grant agreement ID: 680900

DOI

10.3030/680900

Project closed

EC signature date 14 September 2015

Start date 1 October 2015

End date 30 September 2016

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 149 875,00

EU contribution

€ 149 875,00

Coordinated by

FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA
Spain

Periodic Reporting for period 1 - BigData4Cat (Big Data for Catalysis)

Reporting period: 2015-10-01 to 2016-09-30

Summary of the context and overall objectives of the project

In this project we have addressed the use of big data for catalytic purposes. To this end we have set up an open database, ioChem-BD.org with the computational results for a series of materials and compounds that are used as catalysts that can be now searched easily. More than 5,000 structures with implications in the catalysis by complexes, metals, oxides and nanoparticles for the transformation of biomass-derived compounds and the activation of small, yet crucial, molecules like CO2 have been uploaded to the database and can be searched. The software and the trademark have been registered and a business plan has been developed. We are now establishing the contacts that are necessary in order to determine how the distribution for journals has to be carried out.