High-Throughput Screening Approach for Nanoporous Materials Genome Using Topological Data Analysis: Application to Zeolites

[Image: see text] The materials genome initiative has led to the creation of a large (over a million) database of different classes of nanoporous materials. As the number of hypothetical materials that can, in principle, be experimentally synthesized is infinite, a bottleneck in the use of these dat...

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Detalles Bibliográficos
Autores principales: Lee, Yongjin, Barthel, Senja D., Dłotko, Paweł, Moosavi, Seyed Mohamad, Hess, Kathryn, Smit, Berend
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2018
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6096454/
https://www.ncbi.nlm.nih.gov/pubmed/29986145
http://dx.doi.org/10.1021/acs.jctc.8b00253

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6096454/
https://www.ncbi.nlm.nih.gov/pubmed/29986145
http://dx.doi.org/10.1021/acs.jctc.8b00253

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