Concepedia

A highly efficient and informative method to identify ion transport networks in fast ion conductors

Bing He, Penghui Mi, Anjiang Ye, Shuting Chi, Yao Jiao, Liwen Zhang, Bowei Pu, Zheyi Zou, Wenqing Zhang, Maxim Avdeev,

Acta Materialia · 2020 · 74 citations · 62 references

DOI

Concepts

References

62

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

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From ultrasoft pseudopotentials to the projector augmented-wave method

Georg Kresse, Daniel P. Joubert · Physical review. B, Condensed matter · 1999 · 83.6K citations

, , +17

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

, , +14

Structure validation in chemical crystallography

Anthony L. Spek · Acta Crystallographica Section D Biological Crystallography · 2009 · 15.3K citations · Full text

, , +16

Improved tangent estimate in the nudged elastic band method for finding minimum energy paths and saddle points

Graeme Henkelman, Hannes Jónsson · The Journal of Chemical Physics · 2000 · 9.4K citations

, , +17