Inverse Band Structure Design via Materials Database Screening: Application to Square Planar Thermoelectrics
Sign Up to like & getrecommendations! Published in 2018 at "Chemistry of Materials"
DOI: 10.1021/acs.chemmater.7b04496
Abstract: Electronic band structure contains a wealth of information on the electronic properties of a solid and is routinely computed. However, the more difficult problem of designing a solid with a desired band structure is an… read more here.
Keywords: structure design; materials database; inverse band; structure ... See more keywords
Organic materials database: An open-access online database for data mining
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DOI: 10.1371/journal.pone.0171501
Abstract: We present an organic materials database (OMDB) hosting thousands of Kohn-Sham electronic band structures, which is freely accessible online at http://omdb.diracmaterials.org. The OMDB focus lies on electronic structure, density of states and other properties for… read more here.
Keywords: database open; data mining; organic materials; materials database ... See more keywords