537 citations · 2.1k across the 37 of their papers we have counts for
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physics.comp-ph2020★ 4 cited
The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO perovskites
Jack S. Baker, Tsuyoshi Miyazki, David R. Bowler
The perovskite oxides are known to be susceptible to structural distortions over a long wavelength when compared to their parent cubic structures. From an ab initio simulation pers…
physics.comp-ph2020★ 124 cited
Large scale and linear scaling DFT with the CONQUEST code
Ayako Nakata, Jack Baker, Shereif Mujahed +8
We survey the underlying theory behind the large-scale and linear scaling DFT code, Conquest, which shows excellent parallel scaling and can be applied to thousands of atoms with e…