Materials design by evolutionary optimization of functional groups in metal-organic frameworks

A genetic algorithm that efficiently optimizes a desired physical or functional property in metal-organic frameworks (MOFs) by evolving the functional groups within the pores has been developed. The approach has been used to optimize the CO(2) uptake capacity of 141 experimentally characterized MOFs...

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Detalles Bibliográficos
Autores principales: Collins, Sean P., Daff, Thomas D., Piotrkowski, Sarah S., Woo, Tom K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2016
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5262444/
https://www.ncbi.nlm.nih.gov/pubmed/28138523
http://dx.doi.org/10.1126/sciadv.1600954

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5262444/
https://www.ncbi.nlm.nih.gov/pubmed/28138523
http://dx.doi.org/10.1126/sciadv.1600954

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