Toward Computational Materials Design: The Impact of Density Functional Theory on Materials Research

By Jürgen Hafner, Chris Wolverton, Gerbrand Ceder. 2006

341 citations recorded by the source corpus.

Subfields: Inorganic Chemistry, Materials Chemistry

View Paper: https://www.semanticscholar.org/paper/04f23032b5d9bf1e0792e58833d92df879374cf2

How researchers see this paper

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In Materials Chemistry

1. Fritz Körmann
2. Yuji Ikeda
3. Blazej Grabowski

Citations in the corpus

• Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex alloys (2019, background): “DFT has become one of the dominant approaches in theoretical solid state physics for exploring materials properties [42,43].”