Peter D Haynes

Peter D Haynes

Imperial College London - London / United Kingdom
Natural Sciences / Physics
AD Scientific Index ID: 1267274
person_outline Peter D Haynes's MOST POPULAR ARTICLES
1-) Introducing ONETEP: Linear-scaling density functional simulations on parallel computers The Journal of chemical physics 122 (8), 2005
2-) Linear-scaling density-functional theory with tens of thousands of atoms: Expanding the scope and scale of calculations with ONETEP Computer Physics Communications 180 (7), 1041-1053, 2009
3-) Preconditioned iterative minimization for linear-scaling electronic structure calculations The Journal of chemical physics 119 (17), 8842-8848, 2003
4-) Cellular uptake mechanisms of functionalised multi-walled carbon nanotubes by 3D electron tomography imaging Nanoscale 3 (6), 2627-2635, 2011
5-) Electrostatic considerations affecting the calculated HOMO–LUMO gap in protein molecules Journal of Physics: Condensed Matter 25 (15), 152101, 2013