Large scale and linear scaling DFT with the CONQUEST code A Nakata, JS Baker, SY Mujahed, JTL Poulton, S Arapan, J Lin, Z Raza, ... The Journal of chemical physics 152 (16), 2020 | 112 | 2020 |
Original Research By Young Twinkle Students (ORBYTS): when can students start performing original research? C Sousa-Silva, LK McKemmish, KL Chubb, MN Gorman, JS Baker, ... Physics Education 53 (1), 015020, 2017 | 39 | 2017 |
Wasserstein solution quality and the quantum approximate optimization algorithm: a portfolio optimization case study JS Baker, SK Radha arXiv preprint arXiv:2202.06782, 2022 | 30 | 2022 |
Highly accurate local basis sets for large-scale DFT calculations in CONQUEST DR Bowler, JS Baker, JTL Poulton, SY Mujahed, J Lin, S Yadav, Z Raza, ... Japanese Journal of Applied Physics 58 (10), 100503, 2019 | 26 | 2019 |
Polar Morphologies from First Principles: PbTiO3 Films on SrTiO3 Substrates and the Surface Reconstruction JS Baker, DR Bowler Advanced Theory and Simulations 3 (11), 2000154, 2020 | 15 | 2020 |
First-principles soft-mode lattice dynamics of and shortcomings of the virtual crystal approximation JS Baker, DR Bowler Physical Review B 100 (22), 224305, 2019 | 12 | 2019 |
A re-examination of antiferroelectric PbZrO $ _3 $ and PbHfO $ _3 $: an 80-atom $ Pnam $ structure JS Baker, M Paściak, JK Shenton, P Vales-Castro, B Xu, J Hlinka, ... arXiv preprint arXiv:2102.08856, 2021 | 11 | 2021 |
GradDFT. A software library for machine learning enhanced density functional theory PA M Casares, JS Baker, M Medvidović, R Reis, JM Arrazola The Journal of Chemical Physics 160 (6), 2024 | 8 | 2024 |
Bringing pupils into the ORBYTS of research LK McKemmish, KL Chubb, T Rivlin, J Baker, M Gorman, A Heward, ... Astronomy & Geophysics 58 (5), 5.11, 2017 | 8 | 2017 |
Quantum variational rewinding for time series anomaly detection JS Baker, H Horowitz, SK Radha, S Fernandes, C Jones, N Noorani, ... arXiv preprint arXiv:2210.16438, 2022 | 7 | 2022 |
Parallel hybrid quantum-classical machine learning for kernelized time-series classification JS Baker, G Park, K Yu, A Ghukasyan, O Goktas, SK Radha Quantum Machine Intelligence 6 (1), 18, 2024 | 6* | 2024 |
Quantum-classical multiple kernel learning A Ghukasyan, JS Baker, O Goktas, J Carrasquilla, SK Radha arXiv preprint arXiv:2305.17707, 2023 | 5 | 2023 |
The pseudoatomic orbital basis: electronic accuracy and soft-mode distortions in ABO3 perovskites JS Baker, T Miyazaki, DR Bowler Electronic Structure 2 (2), 025002, 2020 | 5 | 2020 |
Origin of ferroelectric domain wall alignment with surface trenches in ultrathin films JS Baker, DR Bowler Physical Review Letters 127 (24), 247601, 2021 | 4 | 2021 |
High Dielectric Constants in BaTiO3 Due to Phonon Mode Softening Induced by Lattice Strains: First Principles Calculations H Guo, JS Baker, W Wu, KL Choy Advanced Physics Research 2 (9), 2300001, 2023 | 3 | 2023 |
Simulating optically active spin defects with a quantum computer JS Baker, PAM Casares, MS Zini, J Thik, D Banerjee, C Ling, A Delgado, ... Physical Review A 110 (3), 032606, 2024 | 1 | 2024 |
Weak low-temperature polarity in a single crystal K Roleder, G Catalán, AM Glazer, JS Baker, JH Ko, FH Naqvi, SB Junaid, ... Physical Review B 107 (14), L140102, 2023 | 1 | 2023 |
Long range order in ferroelectric and antiferroelectric perovskites meets large scale density functional theory JS Baker University of London, University College London (United Kingdom), 2020 | 1 | 2020 |
Personal ornaments analysis to explore the cultural and social diversity in Europe during the Gravettian J Baker Université de Bordeaux, 2024 | | 2024 |
A Quantum-Inspired Binary Optimization Algorithm for Representative Selection AG Hughes, JS Baker, SK Radha arXiv preprint arXiv:2301.01836, 2023 | | 2023 |