Accelerating computational discovery of porous solids through improved navigation of energy-structure-function maps

While energy-structure-function (ESF) maps are a powerful new tool for in silico materials design, the cost of acquiring an ESF map for many properties is too high for routine integration into high-throughput virtual screening workflows. Here, we propose the next evolution of the ESF map. This uses...

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Detalles Bibliográficos
Autores principales: Pyzer-Knapp, Edward O., Chen, Linjiang, Day, Graeme M., Cooper, Andrew I.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Association for the Advancement of Science 2021
Materias:
Research Articles
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8363149/
https://www.ncbi.nlm.nih.gov/pubmed/34389543
http://dx.doi.org/10.1126/sciadv.abi4763

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