J. Baker

activity

20192022

most citedWasserstein Solution Quality and the Quantum Approximate Optimization Algorithm: A Portfolio Optimization Case Study

18 citations · 35 across the 4 of their papers we have counts for

collaborators

Showing cond-mat.mtrl-sciShow all

3 papers · 1 filter

cond-mat.mtrl-sci2021★ 5 cited

A re-examination of antiferroelectric PbZrO $_{3}$ and PbHfO $_{3}$ : an 80-atom $P nam$ structure

J. S. Baker, M. Paściak, J. K. Shenton +8

First principles density functional theory (DFT) simulations of antiferroelectric (AFE) PbZrO $_{3}$ and PbHfO $_{3}$ reveal a dynamical instability in the phonon spectra of their purpor…

cond-mat.mtrl-sci2019★ 10 cited

First principles soft mode lattice dynamics of PbZr $_{0.5}$ Ti $_{0.5}$ O $_{3}$ and shortcomings of the virtual crystal approximation

Jack S. Baker, David Bowler

A comparative study between PbTiO $_{3}$ , PbZrO $_{3}$ , and the solid solution PbZr $_{0.5}$ Ti $_{0.5}$ O $_{3}$ is performed on the soft mode lattice dynamics within the first Brillouin Zone.…

cond-mat.mtrl-sci2019

Highly accurate local basis sets for large-scale DFT calculations in CONQUEST

David R. Bowler, Jack S. Baker, Jack T. L. Poulton +5

Given the widespread use of density functional theory (DFT), there is an increasing need for the ability to model large systems (beyond 1,000 atoms). We present a brief overview of…

A re-examination of antiferroelectric PbZrO3​ and PbHfO3​: an 80-atom Pnam structure

First principles soft mode lattice dynamics of PbZr0.5​Ti0.5​O3​ and shortcomings of the virtual crystal approximation

Highly accurate local basis sets for large-scale DFT calculations in CONQUEST

A re-examination of antiferroelectric PbZrO $_{3}$ and PbHfO $_{3}$ : an 80-atom $P nam$ structure

First principles soft mode lattice dynamics of PbZr $_{0.5}$ Ti $_{0.5}$ O $_{3}$ and shortcomings of the virtual crystal approximation