| Comparisons of different force fields in conformational analysis and searching of organic molecules: A review T Lewis-Atwell, PA Townsend, MN Grayson Tetrahedron 79, 131865, 2021 | 50 | 2021 |
| Machine learning activation energies of chemical reactions T Lewis‐Atwell, PA Townsend, MN Grayson Wiley Interdisciplinary Reviews: Computational Molecular Science 12 (4), e1593, 2022 | 47 | 2022 |
| Wiley Interdiscip T Lewis-Atwell, PA Townsend, MN Grayson Rev.: Comput. Mol. Sci 12, e1593, 2022 | 8 | 2022 |
| Comparing the Performances of Force Fields in Conformational Searching of Hydrogen-Bond-Donating Catalysts T Lewis-Atwell, PA Townsend, MN Grayson The Journal of Organic Chemistry 87 (9), 5703-5712, 2022 | 5 | 2022 |
| Dataset for" Reformulating Reactivity Design for Data-Efficient Machine Learning" T Lewis-Atwell, D Beechey, Ö Şimşek, M Grayson University of Bath, 2023 | 1 | 2023 |
| Reformulating Reactivity Design for Data-Efficient Machine Learning T Lewis-Atwell, D Beechey, O Şimşek, MN Grayson ACS catalysis 13 (20), 13506-13515, 2023 | 1 | 2023 |
| Dataset for" Comparing the Performances of Force Fields in Conformational Searching of Hydrogen Bond-Donating Catalysts" T Lewis-Atwell, P Townsend, M Grayson University of Bath, 2022 | | 2022 |
