Big Data for Catalysis

Informazioni relative al progetto

BigData4Cat

ID dell’accordo di sovvenzione: 680900

DOI

10.3030/680900

Progetto chiuso

Data della firma CE 14 Settembre 2015

Data di avvio 1 Ottobre 2015

Data di completamento 30 Settembre 2016

Finanziato da

• EXCELLENT SCIENCE - European Research Council (ERC)

Costo totale

€ 149 875,00

Contributo UE

€ 149 875,00

Coordinato da

FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA
Spain

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

Periodo di rendicontazione: 2015-10-01 al 2016-09-30

Sintesi del contesto e degli obiettivi generali del progetto

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.