14. Simulating the dynamics of NV– formation in diamond in the presence of carbon self-interstitials
G. Chen, J. C. A. Prentice, & J. M. Smith
npj Computational Materials 11, 1 (2025) (arXiv)
13. Unveiling the quasiparticle behaviour in the pressure-induced high-Tc phase of an iron-chalcogenide superconductor
Z. Zajicek, P. Reiss, D. Graf, J. C. A. Prentice, Y. Sadki, A. A. Haghighirad, & A. I. Coldea
npj Quantum Materials 9, 1 (2024) (arXiv)
12. Enhancing conductivity of silver nanowire networks through surface engineering using bidentate rigid ligands
W. C. Liu, J. C. A. Prentice, C. E. Patrick, & A. A. R. Watt
ACS Applied Materials & Interfaces 16, 4150 (2024)
11. Supramolecular self-assembly as a tool to preserve the electronic purity of perylene diimide chromophores
I. Heckelmann, Z. Lu, J. C. A. Prentice, F. Auras, T. K. Ronson, R. H. Friend, J. R. Nitschke, & S. Feldmann
Angewandte Chemie International Edition 62, e202216729 (2023) (arXiv)
10. Multiband description of the upper critical field of bulk FeSe
M. Bristow, A. Gower, J. C. A. Prentice, M. D. Watson, Z. Zajicek, S. J. Blundell, A. A. Haghighirad, A. McCollam, & A. I. Coldea
Physical Review B 108, 184507 (2023) (arXiv)
9. Efficiently computing excitations of complex systems: linear-scaling time-dependent embedded mean-field theory in implicit solvent
J. C. A. Prentice
Journal of Chemical Theory and Computation 18, 1542 (2022) (arXiv)
8. Accurate and efficient computation of optical absorption spectra of molecular crystals: the case of the polymorphs of ROY
J. C. A. Prentice & A. A. Mostofi
Journal of Chemical Theory and Computation 17, 5214 (2021) (arXiv)
7. Strain tuning of nematicity and superconductivity in single crystals of FeSe
M. Ghini, M. Bristow, J. C. A. Prentice, S. Sutherland, S. Sanna, A. A. Haghighirad, & A. I. Coldea
Physical Review B 103, 205139 (2021) (arXiv)
6. Combining embedded mean-field theory with linear-scaling density-functional theory
J. C. A. Prentice, R. J. Charlton, A. A. Mostofi, & P. D. Haynes
Journal of Chemical Theory and Computation 16, 354 (2020)
5. The ONETEP linear-scaling density functional theory program
J. C. A. Prentice, J. Aarons, J. C. Womack, A. E. A. Allen, L. Andrinopoulous, L. Anton, R. A. Bell, A. Bhandari, G. A. Bramley, R. J. Charlton, R. J. Clements, D. J. Cole, G. Constantinescu, F. Corsetti, S. M.-M. Dubois, K. K. B. Duff, J. M. Escartin, A. Greco, Q. Hill, L. P. Lee, E. Linscott, D. D. O’Regan, M. J. S. Phipps, L. E. Ratcliff, A. R. Serrano, E. W. Tait, G. Teobaldi, V. Vitale, N. Yeung, T. J. Zuehlsdorff, J. Dziedzic, P. D. Haynes, N. D. M. Hine, A. A. Mostofi, M. C. Payne, & C.-K. Skylaris
The Journal of Chemical Physics 152, 174111 (2020)
4. First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions
J. C. A. Prentice, R. Maezono, & R. J. Needs
Physical Review B 99, 064101 (2019) (arXiv)
3. Using forces to accelerate first-principles anharmonic vibrational calculations
J. C. A. Prentice & R. J. Needs
Physical Review Materials 1, 023801 (2017) (arXiv)
2. First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond
J. C. A. Prentice, B. Monserrat, & R. J. Needs
Physical Review B 95, 014108 (2017) (arXiv)
1. Modelling the angle-dependent magnetoresistance oscillations of Fermi surfaces with hexagonal symmetry
J. C. A. Prentice & A. I. Coldea
Physical Review B 93, 245105 (2016) (arXiv)
Prentice Group 