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Joseph C.A. Prentice
Joseph C.A. Prentice
Cooksey Early Career Teaching and Research Fellow, St Edmund Hall and Department of Materials
在 seh.ox.ac.uk 的电子邮件经过验证 - 首页
标题
引用次数
引用次数
年份
The ONETEP linear-scaling density functional theory program
JCA Prentice, J Aarons, JC Womack, AEA Allen, L Andrinopoulos, ...
The Journal of Chemical Physics 152 (17), 174111, 2020
1692020
Strain tuning of nematicity and superconductivity in single crystals of FeSe
M Ghini, M Bristow, JCA Prentice, S Sutherland, S Sanna, ...
Physical Review B 103 (20), 205139, 2021
392021
First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond
JCA Prentice, B Monserrat, RJ Needs
Physical Review B 95 (1), 014108, 2017
302017
Supramolecular Self‐Assembly as a Tool To Preserve the Electronic Purity of Perylene Diimide Chromophores
I Heckelmann, Z Lu, JCA Prentice, F Auras, TK Ronson, RH Friend, ...
Angewandte Chemie International Edition 62 (12), e202216729, 2023
142023
Accurate and Efficient Computation of Optical Absorption Spectra of Molecular Crystals: The Case of the Polymorphs of ROY
JCA Prentice, AA Mostofi
Journal of Chemical Theory and Computation 17 (8), 5214-5224, 2021
82021
Modeling the angle-dependent magnetoresistance oscillations of Fermi surfaces with hexagonal symmetry
JCA Prentice, AI Coldea
Physical Review B 93 (24), 245105, 2016
82016
First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions
JCA Prentice, R Maezono, RJ Needs
Physical Review B 99 (6), 064101, 2019
72019
Using forces to accelerate first-principles anharmonic vibrational calculations
JCA Prentice, RJ Needs
Physical Review Materials 1 (2), 023801, 2017
72017
Multiband description of the upper critical field of bulk FeSe
M Bristow, A Gower, JCA Prentice, MD Watson, Z Zajicek, SJ Blundell, ...
Physical Review B 108 (18), 184507, 2023
42023
Enhancing Conductivity of Silver Nanowire Networks through Surface Engineering Using Bidentate Rigid Ligands
WC Liu, JCA Prentice, CE Patrick, AAR Watt
ACS Applied Materials & Interfaces 16 (3), 4150-4159, 2024
32024
Combining embedded mean-field theory with linear-scaling density-functional theory
JCA Prentice, RJ Charlton, AA Mostofi, PD Haynes
Journal of Chemical Theory and Computation 16 (1), 354-365, 2019
32019
Unveiling the quasiparticle behaviour in the pressure-induced high-Ec phase of an iron-chalcogenide superconductor
Z Zajicek, J Prentice, A Coldea
University of Oxford, 2024
2024
Titelbild: Supramolecular Self‐Assembly as a Tool To Preserve the Electronic Purity of Perylene Diimide Chromophores (Angew. Chem. 12/2023)
I Heckelmann, Z Lu, JCA Prentice, F Auras, TK Ronson, RH Friend, ...
Angewandte Chemie 135 (12), e202301806, 2023
2023
Research Data Supporting [Supramolecular Self-Assembly as a Tool to Preserve Electronic Purity of Perylene Diimide Chromophores]
I Heckelmann, Z Lu, JCA Prentice, F Auras, TK Ronson, RH Friend, ...
2023
Efficiently computing excitations of complex systems: linear-scaling time-dependent embedded mean-field theory in implicit solvent
JCA Prentice
Journal of Chemical Theory and Computation 18 (3), 1542-1554, 2022
2022
Data for" First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions"
R Needs, JCA Prentice, R Maezono
2019
Investigating anharmonic effects in condensed matter systems
JCA Prentice
University of Cambridge, 2018
2018
Vibrational Self-Consistent Field Method Applied to the Ferroelectric Phase Transitions of Barium Titanate
J Prentice, N Bristowe, R Needs
APS March Meeting Abstracts 2018, V29. 009, 2018
2018
Research data supporting" Using forces to accelerate first-principles anharmonic vibrational calculations"
J Prentice, RJ Needs
2017
First-principles anharmonic calculations and the dynamic Jahn-Teller effect
J Prentice, B Monserrat, R Needs
APS March Meeting Abstracts 2017, K8. 007, 2017
2017
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