J
Jack S. Baker
Researcher at London Centre for Nanotechnology
Publications - 17
Citations - 143
Jack S. Baker is an academic researcher from London Centre for Nanotechnology. The author has contributed to research in topics: Density functional theory & Charge density. The author has an hindex of 5, co-authored 12 publications receiving 75 citations. Previous affiliations of Jack S. Baker include University College London.
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Journal ArticleDOI
Large scale and linear scaling DFT with the CONQUEST code.
Ayako Nakata,Jack S. Baker,Shereif Y. Mujahed,Jack T. L. Poulton,Sergiu Arapan,Jianbo Lin,Zamaan Raza,Sushma Yadav,Lionel A. Truflandier,Tsuyoshi Miyazaki,David R. Bowler +10 more
TL;DR: In this article, the authors survey the underlying theory behind the large-scale and linear scaling density functional theory code, conquest, which shows excellent parallel scaling and can be applied to thousands of atoms with diagonalization and millions with linear scaling.
Journal ArticleDOI
Large scale and linear scaling DFT with the CONQUEST code
Ayako Nakata,Jack S. Baker,Shereif Y. Mujahed,Jack T. L. Poulton,Sergiu Arapan,Jianbo Lin,Zamaan Raza,Sushma Yadav,Lionel A. Truflandier,Tsuyoshi Miyazaki,David R. Bowler +10 more
TL;DR: In this article, the authors 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 exact solutions, and millions with linear scaling.
Journal ArticleDOI
Original Research By Young Twinkle Students (ORBYTS): when can students start performing original research?
Clara Sousa-Silva,Clara Sousa-Silva,Laura K. McKemmish,Laura K. McKemmish,Katy L. Chubb,Maire N. Gorman,Maire N. Gorman,Jack S. Baker,Emma J. Barton,Tom Rivlin,Jonathan Tennyson +10 more
TL;DR: In the ORBYTS project as discussed by the authors, students between the ages of 15 and 18 have been performing original research associated with the exploration of space since January 2016, where the student groups have each been led by junior researchers.
Journal ArticleDOI
Highly accurate local basis sets for large-scale DFT calculations in conquest
David R. Bowler,David R. Bowler,David R. Bowler,Jack S. Baker,Jack T. L. Poulton,Shereif Y. Mujahed,Jianbo Lin,Sushma Yadav,Zamaan Raza,Tsuyoshi Miyazaki +9 more
TL;DR: In this article, the authors present a brief overview of the large-scale DFT code Conquest, which is capable of modelling such large systems, and discuss approaches to the generation of consistent, well-converged pseudo-atomic basis sets which will allow such large scale calculations.
Journal ArticleDOI
The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO 3 perovskites
TL;DR: In this article, the authors used a local pseudoatomic orbital (PAO) basis to model the charge density of perovskite oxides and found that modestly sized basis sets of PAOs can reproduce the plane-wave charge density to a total integrated error of better than 0.5%.