Research outputs
2025
Continuous Isometry Invariants of Periodic Crystal Structures
Widdowson, D. (2025, January 13). Continuous Isometry Invariants of Periodic Crystal Structures.
2024
Continuous Invariant-Based Maps of the Cambridge Structural Database.
Widdowson, D. E., & Kurlin, V. A. (2024). Continuous Invariant-Based Maps of the Cambridge Structural Database.. Crystal growth & design, 24(13), 5627-5636. doi:10.1021/acs.cgd.4c00410
2022
Analogy Powered by Prediction and Structural Invariants: Computationally Led Discovery of a Mesoporous Hydrogen-Bonded Organic Cage Crystal
Zhu, Q., Johal, J., Widdowson, D. E., Pang, Z., Li, B., Kane, C. M., . . . Cooper, A. I. (2022). Analogy Powered by Prediction and Structural Invariants: Computationally Led Discovery of a Mesoporous Hydrogen-Bonded Organic Cage Crystal. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 144(22), 9893-9901. doi:10.1021/jacs.2c02653
Average Minimum Distances of periodic point sets are fundamental invariants for mapping all periodic crystals.
Widdowson, D., Mosca, M., Pulido, A., Kurlin, V., & Cooper, A. I. (2022). Average Minimum Distances of periodic point sets are fundamental invariants for mapping all periodic crystals.. MATCH Communications in Mathematical and in Computer Chemistry, 87(3), 529-559. doi:10.46793/match.87-3.529W
2020
The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets
Widdowson, D., Mosca, M., Pulido, A., Kurlin, V., & Cooper, A. I. (2020). The asymptotic behaviour and a near linear time algorithm for isometry invariants of periodic sets. Retrieved from http://arxiv.org/abs/2009.02488v4