Efficiently computing excitations of complex systems: linear-scaling time-dependent embedded mean-field theory in implicit solvent by Prentice, JCA

Using forces to accelerate first-principles anharmonic vibrational calculations by Prentice, JCA, Needs, RJ

Accurate and efficient computation of optical absorption spectra of molecular crystals: the case of the polymorphs of roy by Prentice, JCA, Mostofi, AA

First-principles anharmonic vibrational study of the structure of calcium silicate perovskite under lower mantle conditions by Prentice, JCA, Maezono, R, Needs, RJ

First-principles study of the dynamic Jahn-Teller distortion of the neutral vacancy in diamond by Prentice, JCA, Monserrat, B, Needs, RJ

Enhancing conductivity of silver nanowire networks through surface engineering using bidentate rigid ligands by Liu, WC, Prentice, JCA, Patrick, CE, Watt, AAR

Combining embedded mean-field theory with linear-scaling density-functional theory by Prentice, JCA, Charlton, RJ, Mostofi, AA, Haynes, PD

Strain-tuning of nematicity and superconductivity in single crystals of FeSe by Ghini, M, Bristow, M, Prentice, JCA, Sutherland, S, Sanna, S, Haghighirad, AA, Coldea, AI

Unveiling the quasiparticle behaviour in the pressure-induced high- T c phase of an iron-chalcogenide superconductor by Zajicek, Z, Reiss, P, Graf, D, Prentice, JCA, Sadki, Y, Haghighirad, AA, Coldea, AI

Supramolecular self-assembly as a tool to preserve the electronic purity of perylene diimide chromophores by Heckelmann, I, Lu, Z, Prentice, JCA, Auras, F, Ronson, TK, Friend, RH, Nitschke, JR, Feldmann, S

Multi-band description of the upper critical field of bulk FeSe by Bristow, M, Gower, A, Prentice, JCA, Watson, MD, Zajicek, Z, Blundell, SJ, Haghighirad, AA, McCollam, A, Coldea, AI

The ONETEP linear-scaling density functional theory program by Prentice, JCA, Aarons, J, Womack, JC, Allen, AEA, Andrinopoulos, L, Anton, L, Bell, RA, Bhandari, A, Bramley, GA, Charlton, RJ, Clements, RJ, Cole, DJ, Constantinescu, G, Corsetti, F, Dubois, SM-M, Duff, KKB, Escartín, JM, Greco, A, Hill, Q, Lee, LP, Linscott, E, O'Regan, DD, Phipps, MJS, Ratcliff, LE, Serrano, ÁR, Tait, EW, Teobaldi, G, Vitale, V, Yeung, N, Zuehlsdorff, TJ, Dziedzic, J, Haynes, PD, Hine, NDM, Mostofi, AA, Payne, MC, Skylaris, C-K