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A machine learning platform for the discovery of materials
For photovoltaic materials, properties such as band gap [Formula: see text] are critical indicators of the material’s suitability to perform a desired function. Calculating [Formula: see text] is often performed using Density Functional Theory (DFT) methods, although more accurate calculation are pe...
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| Udgivet i: | J Cheminform |
|---|---|
| Main Authors: | , , |
| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
Springer International Publishing
2021
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC8161632/ https://ncbi.nlm.nih.gov/pubmed/34044889 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/s13321-021-00518-y |
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