P. J. Hasnip

First principles methods using CASTEP

Stewart J. Clark, Matthew Segall, Chris J. Pickard et al. · Zeitschrift für Kristallographie - Crystalline Materials · 2005 · 14.4K citations · Full text

Natural Sciences, Chemistry, Physics +17

First-principles simulation: ideas, illustrations and the CASTEP code

Matthew Segall, Philip J. D. Lindan, Matt Probert et al. · Journal of Physics Condensed Matter · 2002 · 11.8K citations · Full text

Natural Sciences, Computer Science, Physics +11

Reproducibility in density functional theory calculations of solids

Kurt Lejaeghere, Gustav Bihlmayer, Torbjörn Björkman et al. · Science · 2016 · 1.6K citations · Full text

Natural Sciences, Chemistry, Physics +13

Density functional theory in the solid state

P. J. Hasnip, Keith Refson, Matt Probert et al. · Philosophical Transactions of the Royal Society A Mathematical Physical and Engineering Sciences · 2014 · 395 citations · Full text

Natural Sciences, Materials Science, Physics +17

Electron and vibrational spectroscopies using DFT, plane waves and pseudopotentials: CASTEP implementation

Victor Milman, Keith Refson, Stewart J. Clark et al. · Journal of Molecular Structure THEOCHEM · 2010 · 341 citations · Full text

Natural Sciences, Chemistry, Physics +15