James C. Womack

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

Use of the rVV10 Nonlocal Correlation Functional in the B97M-V Density Functional: Defining B97M-rV and Related Functionals

Narbe Mardirossian, Luis Ruiz Pestana, James C. Womack et al. · The Journal of Physical Chemistry Letters · 2016 · 111 citations · Full text

Engineering, Physics, Density Functionals +13

DL_MG: A Parallel Multigrid Poisson and Poisson–Boltzmann Solver for Electronic Structure Calculations in Vacuum and Solution

James C. Womack, Lucian Anton, Jacek Dziedzic et al. · Journal of Chemical Theory and Computation · 2018 · 36 citations · Full text

Self-consistent implementation of meta-GGA functionals for the ONETEP linear-scaling electronic structure package

James C. Womack, Narbe Mardirossian, Martin Head‐Gordon et al. · The Journal of Chemical Physics · 2016 · 24 citations · Full text

Engineering, Physics, Self-consistent Implementation +15

Electron localisation descriptors in ONETEP: a tool for interpreting localisation and bonding in large-scale DFT calculations

Rebecca J. Clements, James C. Womack, Chris‐Kriton Skylaris · Electronic Structure · 2020 · 24 citations · Full text

Engineering, Theoretical Inorganic Chemistry, Electron Diffraction +20