Data-driven acceleration of coupled-cluster and perturbation theory methods GM Jones, PDVS Pathirage, KD Vogiatzis Quantum Chemistry in the Age of Machine Learning, 509-529, 2023 | 4 | 2023 |
Molecular representations for machine learning GM Jones, B Story, V Maroulas, KD Vogiatzis American Chemical Society, 2023 | 3 | 2023 |
Data-driven ligand field exploration of Fe (iv)–oxo sites for C–H activation GM Jones, BA Smith, JK Kirkland, KD Vogiatzis Inorganic Chemistry Frontiers 10 (4), 1062-1075, 2023 | 3 | 2023 |
Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory GM Jones, RR Li, AE DePrince III, KD Vogiatzis The Journal of Physical Chemistry Letters 14 (28), 6377-6385, 2023 | 1 | 2023 |
Structure Determination of 5 Membered Silane Rings Using Microwave Spectroscopy FE Marshall, AJ Duerden, N Moon, DJ Gillcrist, I Sedlacek, G Jones, ... 73rd International Symposium on Molecular Spectroscopy, TJ10, 2018 | 1 | 2018 |
OMSC 2019 Cloud Computing ideas on European Open Science Cloud (EOSC) GM Jones VIRT&L-COMM 19, VIRT&L-COMM. 19.2019. 19, 2019 | | 2019 |