Big Data for Catalysis

Projektinformationen

BigData4Cat

ID Finanzhilfevereinbarung: 680900

DOI

10.3030/680900

Projekt abgeschlossen

EK-Unterschriftsdatum 14 September 2015

Startdatum 1 Oktober 2015

Enddatum 30 September 2016

Finanziert unter

• EXCELLENT SCIENCE - European Research Council (ERC)

Gesamtkosten

€ 149 875,00

EU-Beitrag

€ 149 875,00

Koordiniert durch

FUNDACIO INSTITUT CATALA D'INVESTIGACIO QUIMICA
Spain

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

Berichtszeitraum: 2015-10-01 bis 2016-09-30

Zusammenfassung vom Kontext und den Gesamtzielen des Projekts

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.