Average Minimum Distances of periodic point sets are fundamental invariants for mapping all periodic crystals. D Widdowson, M Mosca, A Pulido, V Kurlin, AI Cooper MATCH Communications in Mathematical and in Computer Chemistry 87 (3), 529-559, 2022 | 51 | 2022 |
Analogy powered by prediction and structural invariants: computationally led discovery of a mesoporous hydrogen-bonded organic cage crystal Q Zhu, J Johal, DE Widdowson, Z Pang, B Li, CM Kane, V Kurlin, GM Day, ... Journal of the American Chemical Society 144 (22), 9893-9901, 2022 | 45 | 2022 |
Resolving the data ambiguity for periodic crystals D Widdowson, V Kurlin Advances in Neural Information Processing Systems 35, 24625-24638, 2022 | 36 | 2022 |
Pointwise distance distributions of periodic point sets D Widdowson, V Kurlin arXiv preprint arXiv:2108.04798, 2021 | 23 | 2021 |
Molecular set transformer: Attending to the co-crystals in the cambridge structural database A Vriza, I Sovago, D Widdowson, V Kurlin, PA Wood, MS Dyer Digital Discovery 1 (6), 834-850, 2022 | 14 | 2022 |
Recognizing rigid patterns of unlabeled point clouds by complete and continuous isometry invariants with no false negatives and no false positives D Widdowson, V Kurlin Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern …, 2023 | 10 | 2023 |
Average minimum distances of periodic point sets D Widdowson, M Mosca, A Pulido, V Kurlin, A Cooper arXiv preprint arXiv:2009.02488, 2020 | 4 | 2020 |
Inorganic synthesis-structure maps in zeolites with machine learning and crystallographic distances D Schwalbe-Koda, DE Widdowson, TA Pham, VA Kurlin Digital Discovery 2 (6), 1911-1924, 2023 | 2 | 2023 |
The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets D Widdowson, M Mosca, A Pulido, V Kurlin, AI Cooper arXiv preprint arXiv:2009.02488, 2020 | 1 | 2020 |
The pointwise distance distribution is stronger than the pair distribution function V Kurlin, D Widdowson Acta Crystallographica Section A: Foundations and Advances 78, a745-a745, 2022 | | 2022 |
The crystal isometry principle V Kurlin, D Widdowson, A Cooper, M Bright Acta Crystallographica Section A: Foundations and Advances 78, a293-a294, 2022 | | 2022 |
A unique and continuous code of all periodic crystals O Anosova, D Widdowson, V Kurlin Acta Crystallographica Section A: Foundations and Advances 77, C427-C427, 2021 | | 2021 |
1University of Liverpool-Liverpool (United Kingdom) V Kurlin, D Widdowson, A Cooper, M Bright Foundations of Crystallography, 0 | | |