A two-dimensional domain decomposition technique for the simulation of quantum-scale devices

DOI10.1016/j.jcp.2011.10.006zbMath1242.65263OpenAlexW2070755273WikidataQ57368269 ScholiaQ57368269MaRDI QIDQ422951

Cheng-Kok Koh, Venkataramanan Balakrishnan, Stephen Cauley, Gerhard Klimeck

Publication date: 18 May 2012

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/j.jcp.2011.10.006

zbMATH Keywords

computational complexitynumerical examplesdomain decompositionparallel computationdensity of statesHamiltonian matrixnon-equilibrium Green's functionatomistic-based simulationdensity of states and transmissionquantum-scale device simulation

Mathematics Subject Classification ID

Multigrid methods; domain decomposition for boundary value problems involving PDEs (65N55) PDEs in connection with quantum mechanics (35Q40) Parallel numerical computation (65Y05) Complexity and performance of numerical algorithms (65Y20)

Related Items (2)

Numerical algorithms based on Galerkin methods for the modeling of reactive interfaces in photoelectrochemical (PEC) solar cells ⋮ A fast algorithm for sparse matrix computations related to inversion

Uses Software

• SuperLU
• UMFPACK
• MUMPS

Cites Work

• Computing entries of the inverse of a sparse matrix using the FIND algorithm
• A Fast Parallel Algorithm for Selected Inversion of Structured Sparse Matrices with Application to 2D Electronic Structure Calculations
• A Supernodal Approach to Sparse Partial Pivoting
• Decay Rates of the Inverse of Nonsymmetric Tridiagonal and Band Matrices
• Task Scheduling in an Asynchronous Distributed Memory Multifrontal Solver
• Algorithm 832

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