Fast Methods for Computing Selected Elements of the Green's Function in Massively Parallel Nanoelectronic Device Simulations

@inproceedings{Kuzmin2013FastMF,
  title={Fast Methods for Computing Selected Elements of the Green's Function in Massively Parallel Nanoelectronic Device Simulations},
  author={Andrey Kuzmin and Mathieu Luisier and Olaf Schenk},
  booktitle={Euro-Par},
  year={2013}
}
The central computation in atomistic, quantum transport simulation consists in solving the Schrödinger equation several thousand times with non-equilibrium Green’s function (NEGF) equations. In the NEGF formalism, a numerical linear algebra problem is identified related to the computation of a sparse inverse subset of general sparse unsymmetric matrices. The computational challenge consists in computing all the diagonal entries of the Green’s functions, which represent the inverse of the… CONTINUE READING
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