GA MOF

An Optimised Genetic Algorithm to Computationally Predict a Metal-Organic Framework to Separate Helium from Methane

Coordinatore	JACOBS UNIVERSITY BREMEN GGMBH    more  Organization address address: Campus Ring 1 city: BREMEN postcode: 28759 contact info Titolo: Mr. Nome: Ronald Cognome: Kieschnick Email: send email Telefono: +49 421 2004515
Nazionalità Coordinatore	Germany [DE]
Totale costo	161˙968 €
EC contributo	161˙968 €
Programma	FP7-PEOPLE Specific programme "People" implementing the Seventh Framework Programme of the European Community for research, technological development and demonstration activities (2007 to 2013)
Code Call	FP7-PEOPLE-2012-IIF
Funding Scheme	MC-IIF
Anno di inizio	2013
Periodo (anno-mese-giorno)	2013-03-01   -   2015-02-28

 Partecipanti

#	participant	country	role	EC contrib. [€]
1	JACOBS UNIVERSITY BREMEN GGMBH  Organization address address: Campus Ring 1 city: BREMEN postcode: 28759 contact info Titolo: Mr. Nome: Ronald Cognome: Kieschnick Email: send email Telefono: +49 421 2004515	DE (BREMEN)	coordinator	161˙968.80

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 Obiettivo del progetto (Objective)

'Metal-Organic Frameworks (MOFs) are a class of inorganic-organic crystalline material with extremely high porosity, making them ideal substrates for the separation of gas mixtures by selective adsorption. The most significant barrier to the bottom-up design of a MOF for a given application is the combinatorial explosion of possible MOFs as the sheer number of chemical environments it is possible to create makes it highly unlikely that any naïve approach will locate a suitable one in any reasonable timeframe. The overall aim of this project is to develop a method to efficiently search the space of possible metal-organic framework structures and to use this to design a framework structure with user specified properties. To this end, we propose an optimised genetic algorithm for the guided computational design of a metal-organic framework to separate helium from methane.'