Chris‐Kriton Skylaris

Introducing <scp>ONETEP</scp>: Linear-scaling density functional simulations on parallel computers

Chris‐Kriton Skylaris, Peter D. Haynes, Arash A. Mostofi et al. · The Journal of Chemical Physics · 2005 · 605 citations

Engineering, Computer Architecture, Computational Chemistry +21

Nonorthogonal generalized Wannier function pseudopotential plane-wave method

Chris‐Kriton Skylaris, Arash A. Mostofi, Peter D. Haynes et al. · Physical review. B, Condensed matter · 2002 · 168 citations

Numerical Analysis, Engineering, Crystalline Insulators +18

The <scp>ONETEP</scp> linear-scaling density functional theory program

Joseph C. A. Prentice, Jolyon Aarons, James C. Womack et al. · The Journal of Chemical Physics · 2020 · 148 citations · Full text

Hydration of UO₂²⁺ and PuO₂²⁺

Steven A. Spencer, Laura Gagliardi, Nicholas C. Handy et al. · The Journal of Physical Chemistry A · 1999 · 142 citations · Full text

Engineering, Solvent Effects, Theoretical Inorganic Chemistry +15

Perspective: Methods for large-scale density functional calculations on metallic systems

Jolyon Aarons, Misbah Sarwar, David Thompsett et al. · The Journal of Chemical Physics · 2016 · 134 citations · Full text

Engineering, Material Simulation, Computational Chemistry +16