Laura E. Ratcliff

Daubechies wavelets for linear scaling density functional theory

Stephan Mohr, Laura E. Ratcliff, P Boulanger et al. · The Journal of Chemical Physics · 2014 · 156 citations · Full text

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

Challenges in large scale quantum mechanical calculations

Laura E. Ratcliff, Stephan Mohr, Georg Huhs et al. · Wiley Interdisciplinary Reviews Computational Molecular Science · 2016 · 147 citations · Full text

Engineering, Computational Chemistry, Strongly Correlated Electron Systems +22

Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations

Laura E. Ratcliff, William Harbutt Dawson, Giuseppe Fisicaro et al. · The Journal of Chemical Physics · 2020 · 108 citations · Full text

Roadmap on electronic structure codes in the exascale era

Vikram Gavini, Stefano Baroni, Volker Blüm et al. · Modelling and Simulation in Materials Science and Engineering · 2023 · 67 citations · Full text