J. Baker

activity

20192023

most citedLarge scale and linear scaling DFT with the CONQUEST code

124 citations · 203 across the 12 of their papers we have counts for

collaborators

Showing 2020Show all

3 papers · 1 filter

cond-mat.mtrl-sci2020★ 12 cited

Polar morphologies from first principles: PbTiO $_{3}$ films on SrTiO $_{3}$ substrates and the $p (2 \times Λ)$ surface reconstruction

Jack S. Baker, David R. Bowler

Low dimensional structures comprised of ferroelectric (FE) PbTiO $_{3}$ (PTO) and quantum paraelectric SrTiO $_{3}$ (STO) are hosts to complex polarization textures such as polar waves,…

physics.comp-ph2020★ 4 cited

The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO $_{3}$ 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…

Polar morphologies from first principles: PbTiO3​ films on SrTiO3​ substrates and the p(2×Λ) surface reconstruction

The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO3​ perovskites

Large scale and linear scaling DFT with the CONQUEST code

Polar morphologies from first principles: PbTiO $_{3}$ films on SrTiO $_{3}$ substrates and the $p (2 \times Λ)$ surface reconstruction

The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO $_{3}$ perovskites