Big Data for Catalysis

Informations projet

BigData4Cat

N° de convention de subvention: 680900

DOI

10.3030/680900

Projet clôturé

Date de signature de la CE 14 Septembre 2015

Date de début 1 Octobre 2015

Date de fin 30 Septembre 2016

Financé au titre de

• EXCELLENT SCIENCE - European Research Council (ERC)

Coût total

€ 149 875,00

Contribution de l’UE

€ 149 875,00

Coordonné par

FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA
Spain

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

Période du rapport: 2015-10-01 au 2016-09-30

Résumé du contexte et des objectifs généraux du projet

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.