MaterialsAtlas Reading List

Density-functional theory of material design: fundamentals and applications-I

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Primer Paper for DFT workflows. Primer/perspective candidate for entering DFT workflows; selected for broad framing, teachability, venue strength, and citation signal.

Citation: Prashant Singh, Manoj K Harbola. Density-functional theory of material design: fundamentals and applications-I. Oxford Open Materials Science 2020. https://doi.org/10.1093/oxfmat/itab018

Acknowledgement: Curated by MaterialsAtlas Open Resources from OpenAlex, Crossref, and manual landmark-paper review.

TypeReading List

DomainDFT workflows

LicenseScholarly article; see publisher

ContributorsPrashant Singh, Manoj K Harbola