| Electronic structure, properties, and phase stability of inorganic crystals: A pseudopotential plane‐wave study V Milman, B Winkler, JA White, CJ Pickard, MC Payne, EV Akhmatskaya, ... International Journal of Quantum Chemistry 77 (5), 895-910, 2000 | 1999 | 2000 |
| Density-functional study of bulk and surface properties of titanium nitride using different exchange-correlation functionals M Marlo, V Milman Physical Review-Section B-Condensed Matter 62 (4), 2899-2907, 2000 | 603 | 2000 |
| Elasticity of hexagonal BeO V Milman, MC Warren Journal of Physics: Condensed Matter 13 (2), 241, 2001 | 380 | 2001 |
| Water chemisorption and reconstruction of the MgO surface K Refson, RA Wogelius, DG Fraser, MC Payne, MH Lee, V Milman Physical Review B 52 (15), 10823, 1995 | 317 | 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 |
| Elastic properties of TiB2 and MgB2 V Milman, MC Warren Journal of Physics: Condensed Matter 13 (24), 5585, 2001 | 181 | 2001 |
| Novel rhenium nitrides A Friedrich, B Winkler, L Bayarjargal, W Morgenroth, EA Juarez-Arellano, ... Physical review letters 105 (8), 085504, 2010 | 171 | 2010 |
| Role of Disorder in the Thermodynamics and Atomic Dynamics of Glasses AI Chumakov, G Monaco, A Fontana, A Bosak, RP Hermann, D Bessas, ... Physical Review Letters 112 (2), 025502, 2014 | 168 | 2014 |
| High-pressure polymeric nitrogen allotrope with the black phosphorus structure D Laniel, B Winkler, T Fedotenko, A Pakhomova, S Chariton, V Milman, ... Physical review letters 124 (21), 216001, 2020 | 166 | 2020 |
| Fracture surfaces: a critical review of fractal studies and a novel morphological analysis of scanning tunneling microscopy measurements VY Milman, NA Stelmashenko, R Blumenfeld Progress in Materials Science 38, 425-474, 1994 | 161 | 1994 |
| Structural, electronic and vibrational properties of tetragonal zirconia under pressure: a density functional theory study V Milman, A Perlov, K Refson, SJ Clark, J Gavartin, B Winkler Journal of Physics: Condensed Matter 21 (48), 485404, 2009 | 152 | 2009 |
| Pressure response of an organic− inorganic perovskite: methylammonium lead bromide IP Swainson, MG Tucker, DJ Wilson, B Winkler, V Milman Chemistry of materials 19 (10), 2401-2405, 2007 | 150 | 2007 |
| Core-level spectroscopy calculation and the plane wave pseudopotential method SP Gao, CJ Pickard, A Perlov, V Milman Journal of Physics: Condensed Matter 21 (10), 104203, 2009 | 143 | 2009 |
| Stiffness and thermal expansion of ZrB2: an ab initio study V Milman, B Winkler, MIJ Probert Journal of physics: Condensed matter 17 (13), 2233, 2005 | 117 | 2005 |
| Structural properties of lanthanide and actinide compounds within the plane wave pseudopotential approach CJ Pickard, B Winkler, RK Chen, MC Payne, MH Lee, JS Lin, JA White, ... Physical review letters 85 (24), 5122, 2000 | 115 | 2000 |
| An ab initio study of the structure and properties of aluminum hydroxide: gibbsite and bayerite JD Gale, AL Rohl, V Milman, MC Warren The Journal of Physical Chemistry B 105 (42), 10236-10242, 2001 | 108 | 2001 |
| Free energy and entropy of diffusion by ab initio molecular dynamics: Alkali ions in silicon V Milman, MC Payne, V Heine, RJ Needs, JS Lin, MH Lee Physical review letters 70 (19), 2928, 1993 | 108 | 1993 |
| Theoretical study of high-density phases of covalent semiconductors. I. Ab initio treatment J Crain, SJ Clark, GJ Ackland, MC Payne, V Milman, PD Hatton, BJ Reid Physical Review B 49 (8), 5329, 1994 | 103 | 1994 |
| Ab initio atomistic simulation of the strength of defective aluminum and tests of empirical force models VB Deyirmenjian, V Heine, MC Payne, V Milman, RM Lynden-Bell, ... Physical Review B 52 (21), 15191, 1995 | 90 | 1995 |
| Systematic prediction of crystal structures: An application to -hybridized carbon polymorphs RT Strong, CJ Pickard, V Milman, G Thimm, B Winkler Physical Review B—Condensed Matter and Materials Physics 70 (4), 045101, 2004 | 88 | 2004 |
Chris J. PickardSir Alan Cottrell Professor of Materials Science, University of CambridgeVerified email at cam.ac.uk
