12 citations · 32 across the 6 of their papers we have counts for
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cond-mat.mtrl-sci2020★ 3 cited
Efficient partitioning of surface Green's function: toward ab initio contact resistance study
Guido Gandus, Youseung Lee, Daniele Passerone +1
In this work, we propose an efficient computational scheme for first-principle quantum transport simulations to evaluate the open-boundary conditions. Its partitioning differentiat…
cond-mat.mtrl-sci2020★ 12 cited
Smart local orbitals for efficient calculations within density functional theory and beyond
G. Gandus, A. Valli, D. Passerone +1
Localized basis sets in the projector augmented wave formalism allow for computationally efficient calculations within density functional theory (DFT). However, achieving high nume…