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Computational materials design of crystalline solids

The modelling of materials properties and processes from first principles is becoming sufficiently accurate as to facilitate the design and testing of new systems in silico. Computational materials science is both valuable and increasingly necessary for developing novel functional materials and comp...

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Detalles Bibliográficos
Autores principales: Butler, Keith T., Frost, Jarvist M., Skelton, Jonathan M., Svane, Katrine L., Walsh, Aron
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Royal Society of Chemistry 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5103860/
https://www.ncbi.nlm.nih.gov/pubmed/26992173
http://dx.doi.org/10.1039/c5cs00841g