Concepedia

Temperature- and pressure-dependent phonon transport properties of SnS across phase transition from machine-learning interatomic potential

Niuchang Ouyang, Chen Wang, Yue Chen

International Journal of Heat and Mass Transfer · 2022 · 23 citations · 46 references

DOI

Concepts

References

46

Projector augmented-wave method

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

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Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

<i>Ab initio</i>molecular dynamics for liquid metals

Georg Kresse, J. Häfner · Physical review. B, Condensed matter · 1993 · 44.9K citations

, , +17

Fast Parallel Algorithms for Short-Range Molecular Dynamics

Steven J. Plimpton · Journal of Computational Physics · 1995 · 44.6K citations

, , +10

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

John P. Perdew, Adrienn Ruzsinszky, Gábor I. Csonka et al. · Physical Review Letters · 2008 · 11.7K citations · Full text

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