Concepedia

Borates as a new direction in the design of oxide ion conductors

Xiaohui Li, Yang Li, Zhenyu Zhu, Xiaoge Wang, Pohua Chen, Senchuan Huang, Xianyi Wei, Guohong Cai, Pascal Manuel, Sihai Yang⧫,

Science China Materials · 2022 · 20 citations · 47 references

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Concepts

References

47

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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Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Projector augmented-wave method

Peter E. Blöchl · Physical review. B, Condensed matter · 1994 · 90.8K citations

, , +17

VMD: Visual molecular dynamics

William Humphrey, Andrew Dalke, Klaus Schulten · Journal of Molecular Graphics · 1996 · 66.6K citations

, , +12

A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

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