84 citations · 113 across the 3 of their papers we have counts for
3 papers
The PSML format and library for norm-conserving pseudopotential data curation and interoperability
Alberto García, Matthieu Verstraete, Yann Pouillon +1
Norm-conserving pseudopotentials are used by a significant number of electronic-structure packages, but the practical differences among codes in the handling of the associated data…
SIESTA-PEXSI: Massively parallel method for efficient and accurate \textit{ab initio} materials simulation without matrix diagonalization
Lin Lin, Alberto García, Georg Huhs +1
We describe a scheme for efficient large-scale electronic-structure calculations based on the combination of the pole expansion and selected inversion (PEXSI) technique with the SI…
Compositional uniformity, domain patterning and the mechanism underlying nano-chessboard arrays
Santiago Gonzalez, J. M. Perez-Mato, Luis Elcoro +3
We propose that systems exhibiting compositional patterning at the nanoscale, so far assumed to be due to some kind of ordered phase segregation, can be understood instead in terms…