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GPU acceleration of conjugate gradient method obtaining Green's function for transport-property calculation

COMPUTER PHYSICS COMMUNICATIONS (2024)

Calculation of the Green's function in the scattering region for first-principles electron-transport simulations

Yoshiyuki Egami et al.

Summary: A method for efficiently evaluating electron-transport properties of very long systems was proposed, utilizing specific algorithms to reduce computational costs and perform transport calculations on double-walled carbon nanotubes containing 196608 atoms. The study found that the periodicity of doped impurities in DWCNTs can affect the conductance spectra properties.

PHYSICAL REVIEW RESEARCH (2021)

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Article Materials Science, Multidisciplinary

Improvement of accuracy in the wave-function-matching method for transport calculations

Shigeru Tsukamoto et al.

PHYSICAL REVIEW B (2018)

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Article Physics, Fluids & Plasmas

Numerical solver for first-principles transport calculation based on real-space finite-difference method

Shigeru Iwase et al.

PHYSICAL REVIEW E (2015)

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Article Materials Science, Multidisciplinary

Real-space electronic structure calculations with full-potential all-electron precision for transition metals

Tomoya Ono et al.

PHYSICAL REVIEW B (2010)

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Article Computer Science, Theory & Methods

BiCGStab(l) for families of shifted linear systems

A Frommer

COMPUTING (2003)

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GPU acceleration of conjugate gradient method obtaining Green's function for transport-property calculation

相关参考文献

Calculation of the Green's function in the scattering region for first-principles electron-transport simulations

Improvement of accuracy in the wave-function-matching method for transport calculations

Numerical solver for first-principles transport calculation based on real-space finite-difference method

Real-space electronic structure calculations with full-potential all-electron precision for transition metals

BiCGStab(l) for families of shifted linear systems

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