Publication Date | Title | Author(s) |

25-Jan-2016 | The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study | *Poli, E; Elliott, JD; Ratcliff, LE; Andrinopoulos, L; Dziedzic, J, et al* |

2-May-2011 | Accurate ionic forces and geometry optimization in linear-scaling density-functional theory with local orbitals | *Hine, NDM; Robinson, M; Haynes, PD; Skylaris, C-K; Payne, MC, et al* |

1-May-1997 | Localised spherical-wave basis set for O(N) total-energy pseudopotential calculations | *Haynes, PD; Payne, MC* |

1-Jan-2006 | ONETEP: linear-scaling density-functional theory with plane-waves | *Haynes, PD; Mostofi, AA; Skylaris, CK; Payne, MC* |

5-Aug-2016 | Single-electron induced surface plasmons on a topological nanoparticle | *Siroki, G; Lee, DKK; Haynes, PD; Giannini, V* |

23-Jul-2008 | Density kernel optimization in the ONETEP code | *Haynes, PD; Skylaris, CK; Mostofi, AA; Payne, MC* |

1-Nov-2003 | Preconditioned iterative minimization for linear-scaling electronic structure calculations | *Mostofi, AA; Haynes, PD; Skylaris, CK; Payne, MC* |

10-May-2006 | Elimination of basis set superposition error in linear-scaling density-functional calculations with local orbitals optimised in situ | *Haynes, PD; Skylaris, CK; Mostofi, AA; Payne, MC* |

21-Sep-2010 | Linear-scaling density-functional simulations of charged point defects in Al2O3 using hierarchical sparse matrix algebra | *Hine, NDM; Haynes, PD; Mostofi, AA; Payne, MC* |

27-Oct-2011 | Calculating optical absorption spectra for large systems using linear-scaling density functional theory | *Ratcliff, LE; Hine, NDM; Haynes, PD* |