Abstract | ||
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The poster presents a parallel matrix inversion algorithm that has been implemented to be part of a matrix inverse library used by the SMEAGOL ab initio electronic code [1]. The SMEAGOL package uses a combination of Density Function Theory (DFT) and Non-Equilibrium Greenu0027s Functions (NEGF) to study nanoscale electronic transport under the effect of an applied bias potential. SMEAGOL is developed by the computational spintronics group in Trinity College, Dublin. Matrix inversion must be used in order to obtain the Greenu0027s function required by the SMEAGOL code. Efficient parallel scaling of the SMEAGOL code requires that the matrix inverse be calculated in parallel. In many cases, only the block tridiagonal part of inverse is needed. This algorithm provides the block tridiagonal subset of the inverse of a sparse non-Hermitian block tridiagonal matrix. |
Year | Venue | Field |
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2016 | HPCS | Tridiagonal matrix,Applied mathematics,Inverse,Matrix (mathematics),Theoretical computer science,Density functional theory,Smeagol,Ab initio,Scaling,Hermitian matrix,Mathematics |
DocType | Citations | PageRank |
Conference | 0 | 0.34 |
References | Authors | |
0 | 2 |
Name | Order | Citations | PageRank |
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Louise Spellacy | 1 | 0 | 0.34 |
Darach Golden | 2 | 2 | 1.22 |