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

DOI10.1016/J.JCP.2011.10.006MaRDI QIDQ422951zbMATHOpenAlexWikidataFDO

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

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

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

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Cites work

• 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
• Algorithm 832
• Computing entries of the inverse of a sparse matrix using the FIND algorithm
• Decay Rates of the Inverse of Nonsymmetric Tridiagonal and Band Matrices
• Task Scheduling in an Asynchronous Distributed Memory Multifrontal Solver

Cited in

(4)

• Local Discontinuous Galerkin Methods for the 2D Simulation of Quantum Transport Phenomena on Quantum Directional Coupler
• 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
• Device-partition method using equivalent circuit model in two-dimensional device simulation

Describes a project that uses

Uses Software

• SuperLU
• UMFPACK
• MUMPS

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