| First principles methods using CASTEP SJ Clark, MD Segall, CJ Pickard, PJ Hasnip, MIJ Probert, K Refson, ... Zeitschrift für kristallographie-crystalline materials 220 (5-6), 567-570, 2005 | 14343 | 2005 |
| First-principles simulation: ideas, illustrations and the CASTEP code MD Segall, PJD Lindan, MJ Probert, CJ Pickard, PJ Hasnip, SJ Clark, ... Journal of physics: condensed matter 14 (11), 2717, 2002 | 12864 | 2002 |
| Reproducibility in density functional theory calculations of solids K Lejaeghere, G Bihlmayer, T Björkman, P Blaha, S Blügel, V Blum, ... Science 351 (6280), aad3000, 2016 | 1341 | 2016 |
| Variational density-functional perturbation theory for dielectrics and lattice dynamics K Refson, PR Tulip, SJ Clark Physical Review B—Condensed Matter and Materials Physics 73 (15), 155114, 2006 | 914 | 2006 |
| phase and metal-insulator transition in multiferroic R Palai, RS Katiyar, H Schmid, P Tissot, SJ Clark, J Robertson, ... Physical Review B—Condensed Matter and Materials Physics 77 (1), 014110, 2008 | 839 | 2008 |
| Defect energy levels in HfO2 high-dielectric-constant gate oxide K Xiong, J Robertson, MC Gibson, SJ Clark Applied physics letters 87 (18), 2005 | 516 | 2005 |
| Structure and elasticity of MgO at high pressure BB Karki, L Stixrude, SJ Clark, MC Warren, GJ Ackland, J Crain American Mineralogist 82 (1-2), 51-60, 1997 | 496 | 1997 |
| Band gap and Schottky barrier heights of multiferroic BiFeO3 SJ Clark, J Robertson Applied physics letters 90 (13), 2007 | 475 | 2007 |
| Density functional theory in the solid state PJ Hasnip, K Refson, MIJ Probert, JR Yates, SJ Clark, CJ Pickard Philosophical Transactions of the Royal Society A: Mathematical, Physical …, 2014 | 466 | 2014 |
| Phys. 鄄 Condes MD Segall, PJD Lindan, MJ Probert, CJ Pickard, PJ Hasnip, SJ Clark, ... Matter 14, 2717, 2002 | 438 | 2002 |
| Limits to doping in oxides J Robertson, SJ Clark Physical Review B—Condensed Matter and Materials Physics 83 (7), 075205, 2011 | 331 | 2011 |
| Effect of high pressure on the crystal structures of polymorphs of glycine A Dawson, DR Allan, SA Belmonte, SJ Clark, WIF David, PA McGregor, ... Crystal growth & design 5 (4), 1415-1427, 2005 | 313 | 2005 |
| Structure and properties of silicon XII: A complex tetrahedrally bonded phase RO Piltz, JR Maclean, SJ Clark, GJ Ackland, PD Hatton, J Crain Physical Review B 52 (6), 4072, 1995 | 312 | 1995 |
| Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation V Milman, K Refson, SJ Clark, CJ Pickard, JR Yates, SP Gao, PJ Hasnip, ... Journal of Molecular Structure: THEOCHEM 954 (1-3), 22-35, 2010 | 294 | 2010 |
| Intrinsic defects in ZnO calculated by screened exchange and hybrid density functionals SJ Clark, J Robertson, S Lany, A Zunger Physical Review B—Condensed Matter and Materials Physics 81 (11), 115311, 2010 | 294 | 2010 |
| Screened exchange density functional applied to solids SJ Clark, J Robertson Physical Review B—Condensed Matter and Materials Physics 82 (8), 085208, 2010 | 248 | 2010 |
| Nature of the electronic band gap in lanthanide oxides R Gillen, SJ Clark, J Robertson Physical Review B—Condensed Matter and Materials Physics 87 (12), 125116, 2013 | 246 | 2013 |
| Practical methods in ab initio lattice dynamics GJ Ackland, MC Warren, SJ Clark Journal of Physics: Condensed Matter 9 (37), 7861, 1997 | 233 | 1997 |
| Arene–perfluoroarene interactions in crystal engineering 8: structures of 1∶ 1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons JC Collings, KP Roscoe, EG Robins, AS Batsanov, LM Stimson, ... New Journal of Chemistry 26 (12), 1740-1746, 2002 | 229 | 2002 |
| Band gaps and defect levels in functional oxides J Robertson, K Xiong, SJ Clark Thin Solid Films 496 (1), 1-7, 2006 | 223 | 2006 |
