140 citations · 1k across the 66 of their papers we have counts for
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Alternating Anderson-Richardson method: An efficient alternative to preconditioned Krylov methods for large, sparse linear systems
Phanish Suryanarayana, Phanisri P. Pratapa, John E. Pask
We present the Alternating Anderson-Richardson (AAR) method: an efficient and scalable alternative to preconditioned Krylov solvers for the solution of large, sparse linear systems…
Cyclic Density Functional Theory : A route to the first principles simulation of bending in nanostructures
Amartya S. Banerjee, Phanish Suryanarayana
We formulate and implement Cyclic Density Functional Theory (Cyclic DFT) -- a self-consistent first principles simulation method for nanostructures with cyclic symmetries. Using ar…
SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Extended systems
Swarnava Ghosh, Phanish Suryanarayana
As the second component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel impleme…
SPARC: Accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory: Isolated clusters
Swarnava Ghosh, Phanish Suryanarayana
As the first component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implemen…
Periodic Pulay method for robust and efficient convergence acceleration of self-consistent field iterations
Amartya S. Banerjee, Phanish Suryanarayana, John E. Pask
Pulay's Direct Inversion in the Iterative Subspace (DIIS) method is one of the most widely used mixing schemes for accelerating the self-consistent solution of electronic structure…