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Principal nested shape space analysis of molecular dynamics data (2019)
Journal Article
Dryden, I. L., Kim, K., Laughton, C. A., & Le, H. (2019). Principal nested shape space analysis of molecular dynamics data. Annals of Applied Statistics, 13(4), 2213-2234. https://doi.org/10.1214/19-AOAS1277

Molecular dynamics simulations produce huge datasets of temporal sequences of molecules. It is of interest to summarize the shape evolution of the molecules in a succinct, low-dimensional representation. However, Euclidean techniques such as principa... Read More about Principal nested shape space analysis of molecular dynamics data.

Local and Global Energies for Shape Analysis in Medical Imaging (2019)
Journal Article
Varano, V., Piras, P., Gabriele, S., Teresi, L., Nardinocchi, P., Dryden, I. L., …Puddu, P. E. (2020). Local and Global Energies for Shape Analysis in Medical Imaging. International Journal for Numerical Methods in Biomedical Engineering, 36(2), Article e3252. https://doi.org/10.1002/cnm.3252

In a previous contribution a new Riemannian shape space, named TPS space, was introduced to perform statistics on shape data. This space was endowed with a Rie-mannian metric and a flat connection, with torsion, compatible with the given metric. This... Read More about Local and Global Energies for Shape Analysis in Medical Imaging.

Modelling Emerging Pollutants in Wastewater Treatment: A Case Study using the Pharmaceutical 17??ethinylestradiol (2019)
Journal Article
Acheampong, E., Dryden, I. L., Wattis, J. A., Twycross, J., Scrimshaw, M. D., & Gomes, R. L. (2019). Modelling Emerging Pollutants in Wastewater Treatment: A Case Study using the Pharmaceutical 17??ethinylestradiol. Computers and Chemical Engineering, 128, 477-487. https://doi.org/10.1016/j.compchemeng.2019.06.020

Mathematical modelling can play a key role in understanding as well as quantifying uncertainties surrounding the presence and fate of emerging pollutants in wastewater treatment processes (WWTPs). This paper presents for the first time a simplified e... Read More about Modelling Emerging Pollutants in Wastewater Treatment: A Case Study using the Pharmaceutical 17??ethinylestradiol.