Big Data for Catalysis

Información del proyecto

BigData4Cat

Identificador del acuerdo de subvención: 680900

DOI

10.3030/680900

Proyecto cerrado

Fecha de la firma de la CE 14 Septiembre 2015

Fecha de inicio 1 Octubre 2015

Fecha de finalización 30 Septiembre 2016

Financiado con arreglo a

• EXCELLENT SCIENCE - European Research Council (ERC)

Coste total

€ 149 875,00

Aportación de la UE

€ 149 875,00

Coordinado por

FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA
Spain

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

Período documentado: 2015-10-01 hasta 2016-09-30

Resumen del contexto y de los objetivos generales del proyecto

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.