Laura E. Ratcliff
University of Bristol(GB)UiT The Arctic University of Norway(NO)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Machine Learning in Materials Science, Molecular Junctions and Nanostructures, Catalysis and Oxidation Reactions, X-ray Diffraction in Crystallography
Most-Cited Works
- → Daubechies wavelets for linear scaling density functional theory(2014)156 cited
- → The ONETEP linear-scaling density functional theory program(2020)150 cited
- → Challenges in large scale quantum mechanical calculations(2016)147 cited
- → Flexibilities of wavelets as a computational basis set for large-scale electronic structure calculations(2020)108 cited
- → Roadmap on electronic structure codes in the exascale era(2023)70 cited
- → Tackling Disorder in γ‐Ga2O3(2022)53 cited
- → Calculating optical absorption spectra for large systems using linear-scaling density functional theory(2011)53 cited
- → Toward Fast and Accurate Evaluation of Charge On-Site Energies and Transfer Integrals in Supramolecular Architectures Using Linear Constrained Density Functional Theory (CDFT)-Based Methods(2015)45 cited
- → Density functional theory calculations of large systems: Interplay between fragments, observables, and computational complexity(2021)38 cited
- → The potential of imogolite nanotubes as (co-)photocatalysts: a linear-scaling density functional theory study(2016)36 cited